smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
N#C/C(=C/c1cccc2ccccc12)C(=O)c1ccc(F)cc1	212691884	XSLYTODSEFBYFM-ATVHPVEESA-N	301.320	4.769	50	20	DJGD	
N#C/C(=C/c1ccccc1C1CC1)C(=O)c1ccc2ncccc2c1	794883954	FOFZYGFUMVAZHZ-UNOMPAQXSA-N	324.383	4.902	50	20	DJGD	
C=CCCC(C)(C)NC(=O)CCCC[C@@H]1CCSS1	856374428	ACRVTYFLYMTDRN-CYBMUJFWSA-N	301.521	4.562	50	20	DJGD	
Cn1c(/C(C#N)=C\c2ccc(C(C)(C)C)cc2)nc2ccccc21	6293985	YBKWWEOVYLPUAP-SSZFMOIBSA-N	315.420	4.935	50	20	DJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C\c2cc(C#N)cs2)cc1	176840710	RIXVZFGLZRAAAM-DHDCSXOGSA-N	320.417	4.707	50	20	DJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3ccc(F)c(C)c3)c[nH]c2c1	729151648	ZIGBBIVLSOLGPA-OQLLNIDSSA-N	318.351	4.714	50	20	DJGD	
O=C(CCCC[C@H]1CCSS1)Oc1cccc2[nH]ccc12	744275837	UJYBZNWZEBBGLB-LBPRGKRZSA-N	321.467	4.787	50	20	DJGD	
CCCN(N=C[C@H](C)c1ccc(F)cc1)C(=O)OC(C)(C)C	794997692	CERGFFSTFRHJNA-ZDUSSCGKSA-N	308.397	4.562	50	20	DJGD	
CC(C)C(=O)/C(C#N)=C\c1ccc(N(C)c2ccccc2)cc1	917621501	UMOPTQCIDSNWCD-LGMDPLHJSA-N	304.393	4.587	50	20	DJGD	
CC(C)(CCO)NCc1cccc(S(F)(F)(F)(F)F)c1	921787603	IXSQZOZMFJZYQV-UHFFFAOYSA-N	319.339	4.595	50	20	DJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)[C@H]1C[C@H]1F	1349506698	OUWPKCRFWOOJFK-DTWKUNHWSA-N	305.243	4.641	50	20	DJGD	
CCCN(N=C(C)CCCC(F)(F)F)C(=O)OC(C)(C)C	495812608	ZRPNSCMYGGTADN-UHFFFAOYSA-N	310.360	4.742	50	20	DJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)c(C)o1	767879023	RJPJSKRJFMUBLC-GZTJUZNOSA-N	316.360	4.595	50	20	DJGD	
Cc1ccccc1/C=C(\C#N)C(=O)c1cccc(C(F)(F)F)c1	780375764	ZMCDASMOHXHISE-OQLLNIDSSA-N	315.294	4.804	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc(Br)ccc1F	726118041	HWDKGJONIHLTOG-KPKJPENVSA-N	324.193	4.500	50	20	DJGD	
O=C(NN=C1CCC2(CCCCC2)CC1)c1c[nH]c2ccccc12	786038102	SZPUMOSEQPFKGB-UHFFFAOYSA-N	323.440	4.778	50	20	DJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1cccc(Cl)c1)c1ccccc1	787139764	BLUWGVOXCGNLED-FYXHJSOBSA-N	324.811	4.514	50	20	DJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2scnc2C2CC2)s1	797406922	YLEYPTORSURUMW-WDZFZDKYSA-N	315.467	4.839	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1csc(C(F)(F)F)c1	863186450	YBXLFGLGKLGXMR-QQCYMQAYSA-N	301.333	4.679	50	20	DJGD	
CCc1cccc2c(/C=C(\C#N)C(=O)c3ccccc3C)c[nH]c12	7211133	FVGZBRAQHGWVKE-LFIBNONCSA-N	314.388	4.829	50	20	DJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1	726428184	GVSWDIHTGQZXCA-CXDFQFJYSA-N	319.404	4.788	50	20	DJGD	
COc1ccc(/C=C(\C#N)c2nc3cc(F)ccc3s2)cc1	730148688	JSAHRXNREJFVQU-XYOKQWHBSA-N	310.353	4.508	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccccc1OC1CCCC1	741473581	JHNPOHNIJITOKO-WIZMWCRPSA-N	311.425	4.920	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cccc(OC2CCCC2)c1	741475211	WGFIVKTVEDFAEN-YSKWHIJTSA-N	311.425	4.920	50	20	DJGD	
Cc1nc(/C(C#N)=C\c2ccc(Cl)nc2Cl)sc1C	761481215	WLYYSEQYRMNJJY-YHYXMXQVSA-N	310.209	4.526	50	20	DJGD	
CC(C)N(CC1CCC1)C(=O)CCCC[C@@H]1CCSS1	768055103	LGLNQBOAKHVVOV-OAHLLOKOSA-N	315.548	4.738	50	20	DJGD	
Cc1cscc1NC(=O)NNc1ccc(Cl)cc1Cl	770074289	TXORPUWQTARPBX-UHFFFAOYSA-N	316.213	4.512	50	20	DJGD	
Cc1ccc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)cc1C	812246684	RNNMFZVXGDTTKB-RIYZIHGNSA-N	302.299	4.781	50	20	DJGD	
CCCN(N=C1CC[C@@H](c2ccccc2)C1)C(=O)OC(C)(C)C	814927782	GBZSBUPOPFNXBC-MRXNPFEDSA-N	316.445	4.957	50	20	DJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)c1ccncc1	186071666	ROWVTCSVQMWELS-UHFFFAOYSA-N	324.274	4.991	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2ccc([C@@H]3C[C@H]3C)o2)c1C	727827559	HAILLRMNAAAEAY-HWEIIANTSA-N	305.377	4.810	50	20	DJGD	
CCCCc1oc2ccccc2c1C=NNC(=O)CC(C)(C)C	728428602	CQRGOKCYHWUAFG-UHFFFAOYSA-N	314.429	4.662	50	20	DJGD	
N#C/C(=C/c1ccc(F)c(C#N)c1)c1nc2cc(F)ccc2s1	770574483	XMWZRTYXQMMAKX-SDQBBNPISA-N	323.327	4.510	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(OC)c2ccccc12	794955321	VSCYWZWXTNQAAR-QINSGFPZSA-N	307.393	4.761	50	20	DJGD	
N#C/C(=C/c1ccc(O)cc1)c1ncc(C(F)(F)F)cc1Cl	810250810	LLCXBNPDRVVNJC-YHYXMXQVSA-N	324.689	4.524	50	20	DJGD	
CC(C)(C)[C@@H]1CCCN1C(=O)CCCC[C@@H]1CCSS1	729402767	YHAVBSXGQAHDEC-KGLIPLIRSA-N	315.548	4.738	50	20	DJGD	
Cc1cc(C)cc(-c2ccc(/C=C(/C#N)c3ccncn3)cc2)c1	758913854	SQXXRHSKWDEIJM-NDENLUEZSA-N	311.388	4.825	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(F)cc1C(F)(F)F	771836582	CNCDOEDOTDVKNT-KPKJPENVSA-N	313.294	4.757	50	20	DJGD	
N#C/C(=C/c1ccc(C(F)F)cc1)C(=O)c1ccccc1F	794873188	QKUWUQOVFWESKH-LCYFTJDESA-N	301.267	4.553	50	20	DJGD	
CCCN(CC(C)C)C(=O)CCCC[C@H]1CCSS1	914505249	VTYJCAWECHHNPO-AWEZNQCLSA-N	303.537	4.595	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1coc(-c2ccc(C)cc2)n1	255131052	LRLKYXIJZBNJPI-KWZJRMENSA-N	308.381	4.562	50	20	DJGD	
CCSc1cccc(/C=C(\C#N)C(=O)c2ccccc2F)c1	769723557	AAJDIWRPEFKEGS-GXDHUFHOSA-N	311.381	4.728	50	20	DJGD	
CC(=C/c1cccc([N+](=O)[O-])c1)/C=C(/C#N)C(=O)C1CCCCC1	787172044	SEJPFHSOLVJBJR-HRBPJWPPSA-N	324.380	4.597	50	20	DJGD	
N#C/C(=C/c1ccccc1Cl)C(=O)c1cccc(Cl)c1	810216927	SRNONLUMIJQLIL-JYRVWZFOSA-N	302.160	4.783	50	20	DJGD	
Cc1cc(F)ccc1-c1ccc(/C=C(\C#N)C(=O)CC(C)C)o1	734304837	XVVKPBYIPBYFBI-GXDHUFHOSA-N	311.356	4.916	50	20	DJGD	
CCc1ccc(/C=C(\C#N)C(=O)c2ccc(Cl)s2)s1	783688161	TYUWAAGGMRVUKM-VQHVLOKHSA-N	307.827	4.815	50	20	DJGD	
CC(C)(C)CCCNC(=O)CCCC[C@H]1CCSS1	150186405	ZBAGBPWRBTYYRK-ZDUSSCGKSA-N	303.537	4.643	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(N(CC)CC)c(F)c1	739424982	MXOWGFRWDLPTLX-WJDWOHSUSA-N	316.420	4.584	50	20	DJGD	
N#C/C(=C/c1cccc(Cl)c1F)C(=O)c1c[nH]c2ccccc12	759645125	UUCPLGZKYHFFLL-WQLSENKSSA-N	324.742	4.750	50	20	DJGD	
Cc1cc(/C=C(/C#N)c2nc(C(C)C)cs2)cnc1Cl	760211190	NKPRTPJAXMJDFD-XGICHPGQSA-N	303.818	4.688	50	20	DJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(CCl)c2)c(C)c1	799889571	PVUYDARVHRMAPO-LICLKQGHSA-N	324.811	4.588	50	20	DJGD	
C=CCOc1ccc(/C=C(/C#N)c2nc(C)cs2)cc1Cl	66819121	QLLXIAOIROFCQV-QPEQYQDCSA-N	316.813	4.734	50	20	DJGD	
Cc1csc(/C(C#N)=C/c2ccc(F)c(Cl)c2Cl)n1	761392973	QXUZVMVMSHDXRX-RUDMXATFSA-N	313.184	4.962	50	20	DJGD	
Cc1cc(NC(=O)NNc2ccccc2)ccc1-c1ccccc1	762949572	REZXCVFYIXEJMN-UHFFFAOYSA-N	317.392	4.811	50	20	DJGD	
Cc1ccc(OC(F)F)c(/C=C(\C#N)C(=O)C2CCCCC2)c1	767715699	XNJXBMDQGOGBHQ-XNTDXEJSSA-N	319.351	4.653	50	20	DJGD	
O=C(NN=C1CC[C@H]2CCCC[C@@H]2C1)c1ccc2ccccc2c1	917547572	VXNBFSVQJOROPB-SJLPKXTDSA-N	320.436	4.916	50	20	DJGD	
CCCCC(CC)=NNC(=O)c1ccc(Cl)cc1Cl	732924379	XQYNYZOVGPYXOD-UHFFFAOYSA-N	301.217	4.679	50	20	DJGD	
Cc1ccc(/C=C(\C#N)C(=O)O[C@H](C)c2cccc(C)c2)cc1	737339630	SOWYDBBQPQXSLY-PUMYGXPMSA-N	305.377	4.515	50	20	DJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2nccc3ccccc23)c1	740765302	VVZFXBQJMZGTPQ-PDGQHHTCSA-N	312.372	4.642	50	20	DJGD	
CCCCCCCC(C)=NNC(=O)c1cccc2cccnc12	747356838	YHXMXILNOYQXNL-UHFFFAOYSA-N	311.429	4.701	50	20	DJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2sccc2Cl)c1C	779751084	FUYJDJVWLJRLFO-XYOKQWHBSA-N	316.813	4.564	50	20	DJGD	
N#C/C(=C\c1csc2ccccc12)C(=O)OC1CCCCC1	834752510	XXOYOCIFYVGFKW-JLHYYAGUSA-N	311.406	4.684	50	20	DJGD	
Cc1ccc(-c2ncc(/C=C(/C#N)C(=O)C(C)C)s2)cc1C	848638366	GUJDDMVJFHWERI-NVNXTCNLSA-N	310.422	4.559	50	20	DJGD	
O=C(C1CCC(Cl)CC1)N1CCCC[C@@H]1c1ccccc1	1123785670	JVPVDVZHAOGTAL-OFLPRAFFSA-N	305.849	4.538	50	20	DJGD	
N#C/C(=C/c1ccccc1F)c1nc2ccccc2n1C(F)F	193315594	YRZHMOZUNJXZQE-XFXZXTDPSA-N	313.282	4.635	50	20	DJGD	
N#C/C(=C/c1ccc(Cl)c(C(F)(F)F)c1)c1ccccn1	255205048	NDFAVRMWMZSOJR-XFFZJAGNSA-N	308.690	4.818	50	20	DJGD	
N#C/C(=C\c1ccc(F)c(Cl)c1Cl)C(=O)C1CCCC1	761387104	UETWTSHWRRBSEN-YRNVUSSQSA-N	312.171	4.799	50	20	DJGD	
N#C/C(=C/c1ccc2occc2c1)C(=O)c1cccc(Cl)c1	794688373	YRAKXIDVPLZMSB-DHDCSXOGSA-N	307.736	4.876	50	20	DJGD	
CSc1ccc(/C=C(/C#N)C(=O)c2ccc(C)c(C)c2)cc1	809160681	XMSYJUYJFGGMNO-BOPFTXTBSA-N	307.418	4.815	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H](C)C1CCC1	839235448	HXCIEZVHCJNFMS-LBPRGKRZSA-N	316.470	4.759	50	20	DJGD	
CN(C(=O)CCCC[C@H]1CCSS1)C1CCCCCC1	914756915	AOUQZUACNBXOJJ-HNNXBMFYSA-N	315.548	4.882	50	20	DJGD	
CCOc1cc(/C=C(/C#N)c2ccccn2)ccc1OCC(C)C	96662832	SBGAGPLXGKWMCT-BOPFTXTBSA-N	322.408	4.579	50	20	DJGD	
N#C/C(=C\c1ccc(Cl)c(F)c1)C(=O)c1cc(F)cc(F)c1	772175273	IIOSAHGYLFXSFM-QDEBKDIKSA-N	321.685	4.547	50	20	DJGD	
N#C/C(=C\c1ccc(Cl)c(C(F)(F)F)c1)c1ccccn1	171157410	NDFAVRMWMZSOJR-YRNVUSSQSA-N	308.690	4.818	50	20	DJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/C=C\c1ccc(F)cc1	490782801	KRSHSILIRMVZRR-VDHUBAETSA-N	320.367	4.544	50	20	DJGD	
C/C(=C/c1ccccc1Cl)C(=O)NNc1cccc(Cl)c1	755449962	LDPWFMVHOARHHR-LUAWRHEFSA-N	321.207	4.540	50	20	DJGD	
N#C/C(=C/c1cc(F)c(F)cc1F)c1ccc2ccccc2n1	767722695	SAYFBRZDDANQBY-QPEQYQDCSA-N	310.278	4.716	50	20	DJGD	
N#C/C(=C/c1ccc(C#N)cc1F)c1nc2cc(F)ccc2s1	772799004	ZCJOIJYHQQYWFB-SDQBBNPISA-N	323.327	4.510	50	20	DJGD	
N#C/C(=C/c1ccc(-c2c(F)cccc2F)o1)c1ccccn1	115184178	ASIXFQDUEOXWQC-BENRWUELSA-N	308.287	4.684	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(N(CC)CC)c(F)c1	741473039	DYSGROXFKNXYMV-LUYJPIOASA-N	316.420	4.584	50	20	DJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2cc(C)ccc2OC)cc1	747087316	BNDPONPLDGENBN-UYRXBGFRSA-N	319.404	4.746	50	20	DJGD	
CSc1cc(/C(C#N)=C/c2cc(Cl)cc(Cl)c2)ncn1	773152851	ZWEPXCHJIVPPLY-WTDSWWLTSA-N	322.220	4.569	50	20	DJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2scnc2C2CC2)cc1	782301873	DAKDZHBBWOKGLB-MHWRWJLKSA-N	322.433	4.763	50	20	DJGD	
COc1ccc(C)cc1/C=C(/C#N)c1ncc(C(C)(C)C)s1	797406023	NKQWTUUBNZNWHU-ZROIWOOFSA-N	312.438	4.822	50	20	DJGD	
Cc1csc2nc(/C=C/c3cccc(CCl)c3)nc(O)c12	799892637	SPVGHJRSCKIMTI-AATRIKPKSA-N	316.813	4.615	50	20	DJGD	
C=CC[C@@H]1CCCN(C(=O)CCCC[C@@H]2CCSS2)C1	855440074	DPSRJGXXGYRLGK-HUUCEWRRSA-N	313.532	4.515	50	20	DJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3ccc(C)c(C)c3)n2)cc1	915986165	YMNJHUQABZYUGE-WQRHYEAKSA-N	315.376	4.726	50	20	DJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc3ccccc3c2)c1	211487767	SXPPJZGDZOLDOC-UYRXBGFRSA-N	312.372	4.694	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H]1CC12CCC2	760146417	IFIGYWNEHKLTGM-HNNXBMFYSA-N	314.454	4.513	50	20	DJGD	
CC(C)[C@@H]1N(C(=O)CCCC[C@@H]2CCSS2)CC1(C)C	817217770	HFKHFKZTBBIPCM-HIFRSBDPSA-N	315.548	4.594	50	20	DJGD	
CCCONC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	831672473	JIZAYMKUEGEELH-UHFFFAOYSA-N	320.283	4.807	50	20	DJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1cccc(C)c1	915844039	HBXMNVHPDHONNZ-UYRXBGFRSA-N	318.420	4.666	50	20	DJGD	
Cc1ccccc1-c1cccc(C=NN(C)C(=O)OC(C)(C)C)c1	729637606	QFOFQLLRWMRVPP-UHFFFAOYSA-N	324.424	4.863	50	20	DJGD	
O=C(NN=C1CCC[C@@H](C2CC2)C1)c1cccc2ccccc12	741462719	MPGWDCUTNOPGSV-MRXNPFEDSA-N	306.409	4.526	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cc(F)cc(C(F)(F)F)c1	772807291	QYXPSFXQKGDRFG-CGYDICSFSA-N	313.294	4.757	50	20	DJGD	
Cc1cc(/C(C#N)=C/c2sccc2Cl)ccc1[N+](=O)[O-]	782352003	OYYCWQUQWZOVJC-YRNVUSSQSA-N	304.758	4.682	50	20	DJGD	
Cc1ccc(Cl)cc1C(=O)NNc1c(C)cccc1C(C)C	812767104	CZELIIOFCIQATD-UHFFFAOYSA-N	316.832	4.837	50	20	DJGD	
N#C/C(=C\c1c(F)cccc1Cl)C(=O)c1cccc(Cl)c1	11333476	XTWRCBXELAQKAZ-DHZHZOJOSA-N	320.150	4.922	50	20	DJGD	
CCc1cccc2c(/C=C(\C#N)C(=O)OC3CCCCC3)c[nH]c12	14178803	LILKMSAXHSIPTG-RVDMUPIBSA-N	322.408	4.513	50	20	DJGD	
N#C/C(=C/c1ccccc1C(F)(F)F)c1nc2ccccc2[nH]1	33395536	QLVXAAFWNBEEBI-XFXZXTDPSA-N	313.282	4.646	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(F)cc2Cl)s1	767712714	DQEDNROYXUHCEB-WDZFZDKYSA-N	305.761	4.639	50	20	DJGD	
N#C/C(=C/c1ccc2occc2c1)C(=O)Nc1ccccc1Cl	794686481	BSYUEJSNUXWUKE-UVTDQMKNSA-N	322.751	4.632	50	20	DJGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1ccsc1C(F)(F)F	863182105	AFTVBCVHIDTYHD-UXBLZVDNSA-N	301.333	4.679	50	20	DJGD	
C[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](c2ccncc2N)C1	215761783	HNURBQJQUBJECZ-KKUMJFAQSA-N	320.553	4.958	50	20	DJGD	
O=C(NNc1cccc(F)c1)c1ccc(C2CCCCC2)cc1	748088261	GLYWWDNHSGKLQY-UHFFFAOYSA-N	312.388	4.630	50	20	DJGD	
C/C=C(/C)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	770479296	RMYRPSKOILEWHW-KJPDOOANSA-N	323.767	4.811	50	20	DJGD	
N#C/C(=C/c1coc2ccccc12)C(=O)c1ccc2ncccc2c1	794885584	TYSYWJNKHFXLJW-WJDWOHSUSA-N	324.339	4.771	50	20	DJGD	
CCc1cccc2c(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)c[nH]c12	915840811	DRXYQYZAEAHCFV-GDNBJRDFSA-N	317.348	4.703	50	20	DJGD	
N#C/C(=C/c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1	33154888	KPQNIUBOLPREIB-GHXNOFRVSA-N	319.147	4.966	50	20	DJGD	
CC[C@H](Cl)c1nc2sc(C)c(-c3ccccc3)c2c(=O)[nH]1	43554242	WFJNSXXQOJSHFU-NSHDSACASA-N	318.829	4.650	50	20	DJGD	
N#C/C(=C/c1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl	206191611	UOBJNOWAKCMWMH-WQLSENKSSA-N	317.175	4.539	50	20	DJGD	
C[C@H]1C[C@H](Nc2cccc(S(F)(F)(F)(F)F)c2)CO1	690186627	JMHBOMCSMFQQRW-WPRPVWTQSA-N	303.296	4.933	50	20	DJGD	
N#C/C(=C\c1cccnc1Cl)c1nc2cc(F)ccc2s1	730149220	VEMVQTQGFRVDAQ-UXBLZVDNSA-N	315.760	4.548	50	20	DJGD	
Cc1cc(C)c(NNC(=O)C[C@@H](C)c2ccccc2C)c(C)c1	743765480	SCZFFNNNKOLOSF-OAHLLOKOSA-N	310.441	4.557	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc(C)ccc1OC(F)F	756783029	GOUSGQLYDXOGHU-NTEUORMPSA-N	307.340	4.509	50	20	DJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccsc2Cl)c(C)c1	790101661	QAIWGSTYAADDJU-MDWZMJQESA-N	316.813	4.564	50	20	DJGD	
Cc1nc(/C(C#N)=C\c2ncc(C(C)(C)C)s2)sc1C	790601251	SDRDGCHFBSYSLT-WDZFZDKYSA-N	303.456	4.578	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(F)c(Br)c1	794873539	FTAWAXDEHOJZPS-YRNVUSSQSA-N	324.193	4.500	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)Cc1cc2ccccc2o1	794950690	ZNJKNINQIFWGFH-UHFFFAOYSA-N	322.408	4.550	50	20	DJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc([C@@H]3C[C@H]3C)o2)c1C	8117438	ORCKMQWUDYLYGM-WYRKQZDXSA-N	320.392	4.566	50	20	DJGD	
COc1cc(/C=C(/C#N)c2nc(C)c(C)s2)ccc1SC	125434760	VFKGFBFRFWIBBY-QPEQYQDCSA-N	316.451	4.555	50	20	DJGD	
Cn1cncc1CNc1cccc(S(F)(F)(F)(F)F)c1	186152117	ATOANUVVXBVRSP-UHFFFAOYSA-N	313.295	4.690	50	20	DJGD	
O=C(CCCCCc1cccs1)NNc1cccc(Cl)c1	731454799	NZHLHQWVAPQLOJ-UHFFFAOYSA-N	322.861	4.648	50	20	DJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2coc3ccccc23)c1C	746523321	UWZJQILCHZDIMA-XNTDXEJSSA-N	316.360	4.595	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccc(F)c(Cl)c1	755405746	JILCMYPSOPDDNG-WDZFZDKYSA-N	305.761	4.639	50	20	DJGD	
COc1cc(/C=C(/C#N)c2nc3cc(F)ccc3s2)ccc1C	772172272	PZRIHGSXKOUZGD-QPEQYQDCSA-N	324.380	4.817	50	20	DJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2ncc(C(C)(C)C)s2)c1	790602714	FXKOBQYWZAREFS-DHDCSXOGSA-N	324.449	4.847	50	20	DJGD	
CCOc1cccc(/C=C(/C#N)c2ccc3ccccc3n2)c1	917144200	BLUKBEOIZSHTMA-ATVHPVEESA-N	300.361	4.698	50	20	DJGD	
C[C@@H]1C[C@@H]1C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	918559292	NEHLQMOFCCJPNO-RGNHYFCHSA-N	323.767	4.500	50	20	DJGD	
N#C/C(=C/c1ccc(Cl)cc1Cl)C(=O)c1ccsc1	12368996	CHZPEFDUCAHSSD-WZUFQYTHSA-N	308.189	4.845	50	20	DJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C/c2ccc(C#N)s2)cc1	176404511	XEHGTABASUONSL-GXDHUFHOSA-N	320.417	4.707	50	20	DJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cnc(-c2ccc(C)cc2)s1	734304720	UEOITXARAPOSCU-MLJKTZRHSA-N	310.422	4.641	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(F)cc1Br	767714373	OZWLKBCCUHPGHA-GHXNOFRVSA-N	324.193	4.500	50	20	DJGD	
O=C(CCCC[C@H]1CCSS1)N[C@@H]1CC12CCCCC2	770869283	NTAVABJIXJQTTF-UONOGXRCSA-N	313.532	4.540	50	20	DJGD	
C[C@H]1CN(C(=O)CCCC[C@H]2CCSS2)CC(C)(C)C1	784713667	MURODTBMPVFRSA-KGLIPLIRSA-N	315.548	4.595	50	20	DJGD	
CCCCn1nc(C)c(/C=C(/C#N)C(=O)CC(C)(C)C)c1Cl	918713921	PGYKSJQUKKRKRE-LCYFTJDESA-N	321.852	4.557	50	20	DJGD	
Cc1ccccc1-c1nnc(CCCC[C@@H]2CCSS2)o1	1348874326	IVVFEHAMTRBMMK-CYBMUJFWSA-N	320.483	4.912	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C1CCCC1	175622083	IZVNKKPPEZXQES-UHFFFAOYSA-N	302.443	4.513	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc2cc(OC)ccc2c1	726119279	WOLRZJDZTGTMDQ-WQRHYEAKSA-N	307.393	4.761	50	20	DJGD	
Cc1cccc(N(C)C(=O)CCCC[C@H]2CCSS2)c1	727106523	FGGLOEDVVHQMGJ-HNNXBMFYSA-N	309.500	4.672	50	20	DJGD	
N#C/C(=C/c1cc(F)c(F)c(F)c1)C(=O)c1cccc(Cl)c1	727973998	FKBFTDWKFIYKQE-WCIBSUBMSA-N	321.685	4.547	50	20	DJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2cccc(C)c2C)c1C	731211001	HUYZSKJACBERRK-UNOMPAQXSA-N	318.420	4.698	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(F)cc(Cl)c2)s1	776720620	QWZXYDHHYGBRQJ-NYYWCZLTSA-N	305.761	4.639	50	20	DJGD	
N#CCCCC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	291713530	LKMKDYZBPCBQLS-UHFFFAOYSA-N	314.279	4.976	50	20	DJGD	
COc1cc(-c2ccccc2)ccc1/C=C(/C#N)c1ccccn1	588417673	XKMPPAXCKQJSGZ-UYRXBGFRSA-N	312.372	4.821	50	20	DJGD	
C[C@H](CC(=O)NNc1cccc(C(F)(F)F)c1)CC(C)(C)C	728716644	JHUJBTRAJNBWCP-LLVKDONJSA-N	316.367	4.611	50	20	DJGD	
CCc1oc2ccccc2c1/C=C(/C#N)C(=O)Nc1ccccc1	730574318	MGUBDXSXXGXIOM-OWBHPGMISA-N	316.360	4.541	50	20	DJGD	
CCCN(N=C1CC[C@H]1c1ccccc1)C(=O)OC(C)(C)C	794997445	RSHFRNDCZMDEHJ-HNNXBMFYSA-N	302.418	4.567	50	20	DJGD	
Cc1cc(C)cc(NNC(=O)CCc2ccc(C(C)C)cc2)c1	916978581	RVZBWHRWLZLLLC-UHFFFAOYSA-N	310.441	4.503	50	20	DJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(Cl)s1	14177237	AHBUAEQNFYCMLN-XYOKQWHBSA-N	316.813	4.564	50	20	DJGD	
Cc1csc(/C(C#N)=C\c2cc(C)n(Cc3ccco3)c2C)n1	96843980	HLVKXIWVUDPNIR-PXNMLYILSA-N	323.421	4.575	50	20	DJGD	
FS(F)(F)(F)(F)c1cccc(NCCn2cccn2)c1	186152040	GEYIBPKRDJMBKC-UHFFFAOYSA-N	313.295	4.653	50	20	DJGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(-c2c(F)cccc2F)o1	734366179	HIUICHAORCYLNF-LUAWRHEFSA-N	315.319	4.747	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(N(CC)CC)c(F)c1	739424981	MXOWGFRWDLPTLX-LFIBNONCSA-N	316.420	4.584	50	20	DJGD	
Cc1ccc(NNC(=O)[C@H](c2cccc(Cl)c2)C(C)C)cc1	749201165	XKNXFBVLSVYEKY-KRWDZBQOSA-N	316.832	4.531	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccccc2OC(C)C)cc1	764891942	PJZRPSKLCAKJEI-PDGQHHTCSA-N	305.377	4.572	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2ccsc2Cl)c1C	790101407	YHUWSINKKAMUPY-JYRVWZFOSA-N	301.798	4.808	50	20	DJGD	
N#C/C(=C\c1cscc1Cl)C(=O)c1ccc2ncccc2c1	794885869	WPLCKMLZQVZBML-NTUHNPAUSA-N	324.792	4.740	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1nc(-c2ccccc2)cs1	794954697	RGQXYKDJQZVHET-UVTDQMKNSA-N	310.422	4.722	50	20	DJGD	
Cc1cccc(C)c1/C=C(\C#N)C(=O)c1ccc2ncccc2c1	794964607	FXIAYVPVCRQCPJ-LDADJPATSA-N	312.372	4.642	50	20	DJGD	
CCCN(N=CCc1cccc(Cl)c1)C(=O)OC(C)(C)C	794995033	CRYCEFSQBOPJDW-UHFFFAOYSA-N	310.825	4.515	50	20	DJGD	
CC1(C)Cc2cc(/C=C(\C#N)c3nc(C4CC4)cs3)ccc2O1	843264807	KERHHDLKKMDSDR-OVCLIPMQSA-N	322.433	4.798	50	20	DJGD	
Cc1cccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)c1	215875293	NKONFPARKAOLLQ-GDNBJRDFSA-N	310.784	4.503	50	20	DJGD	
Cc1noc(CNc2cccc(S(F)(F)(F)(F)F)c2)n1	691722354	UTVAUULBWWIGDA-UHFFFAOYSA-N	315.267	4.648	50	20	DJGD	
CCCOc1ccc(/C=C(\C#N)C(=O)c2cccc(C)c2C)cc1	727654787	KULQZNHJXLAKKN-QGOAFFKASA-N	319.404	4.882	50	20	DJGD	
CCCCCCCOc1ccc(C=C(C#N)C#N)cc1OCC	915838755	CUDUWVCHVXXVPB-UHFFFAOYSA-N	312.413	4.865	50	20	DJGD	
CC(C)=CCC/C(C)=C/C=NNC(=O)Cc1c[nH]c2ccccc12	916341091	XLFYKLAIWBBDMD-ITEZDJDOSA-N	323.440	4.505	50	20	DJGD	
N#C/C(=C/c1ccc(O)c(F)c1)C(=O)c1cc2ccccc2s1	788327703	KVULICSHTQYDSA-QPEQYQDCSA-N	323.348	4.536	50	20	DJGD	
N#C/C(=C/c1cccnc1Cl)C(=O)c1cc2ccccc2s1	788361176	VZZKIXLNHFTGFN-JYRVWZFOSA-N	324.792	4.740	50	20	DJGD	
Cc1ccc(/C=C(\C#N)c2nc(C)cs2)c(Br)c1	152165070	JTHXNOHVJCUUCN-WUXMJOGZSA-N	319.227	4.587	50	20	DJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(C)s2)cc1Cl	172692071	KUNSLWHWSKEBIW-KPKJPENVSA-N	317.797	4.508	50	20	DJGD	
Cc1cc(C)c(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1C	207864009	HIVHGGTXHRBANW-ODLFYWEKSA-N	318.420	4.774	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cc(F)c(F)c(F)c2)c1C	727976017	ZXVOETKIQYOBJJ-MLPAPPSSSA-N	315.294	4.511	50	20	DJGD	
O=C(NN=C1CC[C@@H]2CCCC[C@@H]2C1)c1cccc2ccccc12	741462584	KNKPVQOMLZZYOJ-DOTOQJQBSA-N	320.436	4.916	50	20	DJGD	
Cc1cccc(F)c1NNC(=O)[C@@H](C)c1ccc2ccccc2c1	771707756	SEHPYTNREDMLLD-AWEZNQCLSA-N	322.383	4.534	50	20	DJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2cccc(C(F)(F)F)c2)cc1	780372797	BASQIIBZTOLJRD-OQLLNIDSSA-N	315.294	4.804	50	20	DJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccc(C(F)(F)F)s1	1116768015	AVIOFNRPGAETDY-FLIBITNWSA-N	321.323	4.865	50	20	DJGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(C(C)C)cc1	5130389	VQHYJVMIFXFFKO-LDADJPATSA-N	304.393	4.664	50	20	DJGD	
CCc1cccc2c(/C=C(\C#N)C(=O)c3ccccc3F)c[nH]c12	8201913	SWBXZBYXLXJZDD-GXDHUFHOSA-N	318.351	4.659	50	20	DJGD	
N#C/C(=C/c1ccc(C(F)(F)F)cc1)C(=O)c1ccsc1	12368994	OHEXUKPPBIACTR-GHXNOFRVSA-N	307.296	4.557	50	20	DJGD	
Cc1cc(C)cc(NNC(=O)c2ccccc2SC(C)C)c1	126621450	GPAXXVOBCCRKMR-UHFFFAOYSA-N	314.454	4.561	50	20	DJGD	
CC[C@@H]1CCCN(C(=O)CCCC[C@@H]2CCSS2)CC1	735274917	NCEIARRLDQYWBH-HUUCEWRRSA-N	315.548	4.739	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cccc(OC2CCCC2)c1	741475207	WGFIVKTVEDFAEN-UHVIJJLKSA-N	311.425	4.920	50	20	DJGD	
N#C/C(=C\c1ccc(C(F)(F)F)s1)C(=O)C1CCCCC1	761383532	BWCWGPBVPFJALC-DHZHZOJOSA-N	313.344	4.823	50	20	DJGD	
Cc1ccccc1/C=C(/C#N)C(=O)c1cccc(C(F)(F)F)c1	780375761	ZMCDASMOHXHISE-DHDCSXOGSA-N	315.294	4.804	50	20	DJGD	
Oc1nc(CCCCl)nc2scc(C3CCCCC3)c12	824076551	VCPMPTHBLLCXRS-UHFFFAOYSA-N	310.850	4.616	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1csc(C(F)(F)F)c1	863190309	RTNGGRQJWRJBDH-YHYXMXQVSA-N	301.333	4.679	50	20	DJGD	
N#C/C(=C\c1cc2ccccc2o1)c1nc(-c2ccccc2)no1	11295542	ACAFNRQXOQZOGQ-RVDMUPIBSA-N	313.316	4.547	50	20	DJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(C)c(F)c2)c1C	731495953	UIXKNFOSGAYQIQ-YVLHZVERSA-N	322.383	4.528	50	20	DJGD	
CC1(C)CCc2cc(/C=C(/C#N)C(=O)c3ccccc3)ccc2O1	731563023	KRULPUDVEPVBNK-AQTBWJFISA-N	317.388	4.580	50	20	DJGD	
CN(C(=O)/C(C#N)=C/c1ccc2ccccc2c1)C1CCCCC1	732716283	NFRIMNHAVFMZJX-XMHGGMMESA-N	318.420	4.538	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2coc3ccccc23)c1C	746521147	VQBODFNIFAWCRQ-XNTDXEJSSA-N	301.345	4.840	50	20	DJGD	
C[C@H]1CCC[C@H](C=NNC(=O)c2c(Cl)cccc2Cl)C1	768363832	DHXXBCJDLXAKRM-QWRGUYRKSA-N	313.228	4.535	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cccc(C)c1OC(F)F	777918970	OTIRKVRNDYGENJ-HOXUKUGESA-N	307.340	4.509	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccsc2Cl)cc1C	809147055	XMHQKDWACIOKPC-ZSOIEALJSA-N	301.798	4.808	50	20	DJGD	
Cc1cc(C)c(/C=C(/C#N)c2nc(-c3ccccc3)no2)cc1C	916132296	XPAPHKSMPDFGSB-WQRHYEAKSA-N	315.376	4.726	50	20	DJGD	
FS(F)(F)(F)(F)c1cccc(CNC[C@H]2CCCO2)c1	921476706	LCSKKVMZJIAJAR-LLVKDONJSA-N	317.323	4.613	50	20	DJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2occc2C)cc1	742349522	GIMABKDKWMXGBO-XDUBLRSXSA-N	308.381	4.647	50	20	DJGD	
N#C/C(=C/c1ccc(C(F)F)cc1)c1cnc2ccccc2n1	794944230	RKUIVNCWIYVUAF-ZROIWOOFSA-N	307.303	4.632	50	20	DJGD	
COCC[C@@H](C)NCc1cccc(S(F)(F)(F)(F)F)c1	840894724	XMXFNRCPLSJODV-SNVBAGLBSA-N	319.339	4.859	50	20	DJGD	
CC[C@@H](C)C(C)=NNC(=O)c1cc2c(s1)CCCCCC2	916350449	MERBGPJFSGWRMR-GFCCVEGCSA-N	306.475	4.559	50	20	DJGD	
N#C/C(=C/c1cccs1)C(=O)Nc1ccc(Cl)cc1Cl	242363	INFDMVNCLDABCT-TWGQIWQCSA-N	323.204	4.601	50	20	DJGD	
Cc1csc(/C(C#N)=C/c2ccc(F)cc2C(F)(F)F)n1	151371345	IXWQPEURFXVEQV-ONNFQVAWSA-N	312.291	4.674	50	20	DJGD	
C=C(CBr)CN[C@@H](C)c1cccc(Cl)c1Cl	381460159	KUHOVANGAKPBFS-VIFPVBQESA-N	323.061	4.595	50	20	DJGD	
Cc1ccc2cc(C(=O)NNc3c(C)cccc3C(C)C)[nH]c2c1	812769519	KXSIACBGGDXWJZ-UHFFFAOYSA-N	321.424	4.665	50	20	DJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2c(F)cccc2F)cc1	915852417	MGTDHCCHYZIHPS-PTNGSMBKSA-N	311.331	4.707	50	20	DJGD	
N#C/C(=C\c1cc(Cl)cc(Cl)c1)C(=O)c1ccccc1	917517750	YROCCJXAZONWDC-AWNIVKPZSA-N	302.160	4.783	50	20	DJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2ccc(Cl)c(F)c2)c1	921269512	NVGBGWPGBGFXPL-NVNXTCNLSA-N	313.759	4.886	50	20	DJGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc2ccccc2c1	7156998	XJZAHKYJOLHNPD-CPNJWEJPSA-N	312.372	4.694	50	20	DJGD	
O=C(CCCC[C@@H]1CCSS1)NC1(c2ccccc2)CC1	726564114	MOQBULRXUPNEER-OAHLLOKOSA-N	321.511	4.506	50	20	DJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C1=COCC1	762722100	HDGMHRHXGMLEMG-UHFFFAOYSA-N	315.263	4.587	50	20	DJGD	
Cc1cc(/C=C(/C#N)C(=O)C2CCCC2)cc(C)c1OC(F)F	781553437	RQIPKENXUNQOBX-DHDCSXOGSA-N	319.351	4.571	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(F)ccc1Cl	816782504	ZGZBXIUUMYFKFF-UHFFFAOYSA-N	320.795	4.668	50	20	DJGD	
CCCCOc1ccc(/C=C(/C#N)C(=O)c2ccccc2C)cc1	1317700856	VAXSICBBUIEASG-JXAWBTAJSA-N	319.404	4.964	50	20	DJGD	
N#C/C(=C\c1cc2ccccc2o1)C(=O)c1c[nH]c2ccccc12	11291228	QFTHTWQOYRBNCN-GXDHUFHOSA-N	312.328	4.704	50	20	DJGD	
N#C/C(=C/c1ccc(C(F)(F)F)s1)c1nc2ccccc2[nH]1	761377340	ROEFTFVPMNHVNH-CLFYSBASSA-N	319.311	4.707	50	20	DJGD	
N#C/C(=C/c1cc(F)cc(Cl)c1)C(=O)c1cc(F)cc(F)c1	772179418	OOWBRJDITMNCBS-TYULJFPZSA-N	321.685	4.547	50	20	DJGD	
CCc1ccc(/C=C(/C#N)C(=O)c2cc3ccccc3s2)o1	788329692	XAWNASMLAHKTME-LCYFTJDESA-N	307.374	4.847	50	20	DJGD	
Cc1cccc([C@H]2CCCN2CCO[Si](C)(C)C(C)(C)C)n1	808735177	NWLUUGGWGLUHOJ-QGZVFWFLSA-N	320.553	4.549	50	20	DJGD	
Cc1nc(/C(C#N)=C/c2cccc(OC(F)(F)F)c2)sc1C	741472729	CZLIBULHKRBWJH-WUXMJOGZSA-N	324.327	4.723	50	20	DJGD	
C[C@@H](CCC(=O)NNc1ccc(Cl)c(F)c1)c1ccccc1	750429528	VWAXKGAQZOVCLY-LBPRGKRZSA-N	320.795	4.506	50	20	DJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2csc3ccccc23)cc1	810197517	ZWPMBODCWJVOBX-UVTDQMKNSA-N	318.401	4.755	50	20	DJGD	
COc1ccc2cc(/C=C(/C#N)c3nc(C)c(C)s3)ccc2c1	125428445	DWUUKFQUUNYMLQ-MFOYZWKCSA-N	320.417	4.986	50	20	DJGD	
CCCCCC[C@H]1CCCC1=NNC(=O)c1ccccc1OC	731486972	HXNJEPYXECBMDF-HNNXBMFYSA-N	316.445	4.552	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C/c2ccc3ncccc3c2)n1	747440893	WLSYKIHQPRAIAD-OQLLNIDSSA-N	305.406	4.879	50	20	DJGD	
N#C/C(=C/c1ccc(-c2ccccc2F)o1)C(=O)c1ccsc1	915989800	NSFDHUJZFJBLRP-LCYFTJDESA-N	323.348	4.937	50	20	DJGD	
C=CCNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	181780374	FKOPGULFOZIVFZ-UHFFFAOYSA-N	302.268	4.652	50	20	DJGD	
N#C/C(=C/c1ccnc2ccccc12)C(=O)c1c[nH]c2ccccc12	731835659	LYDJFOIVIIGWGO-PTNGSMBKSA-N	323.355	4.506	50	20	DJGD	
C=CCOc1ccc(/C=C(/C#N)C(=O)[C@H](C)CCC)cc1Cl	741470022	OVSILKDUUBEIAX-NWFCWYBLSA-N	317.816	4.817	50	20	DJGD	
O=C(NN=C1CC[C@@H]2CCCC[C@H]2C1)c1cc2ccccc2o1	749823624	NGAUJFAULRUTEX-KBPBESRZSA-N	310.397	4.509	50	20	DJGD	
N#C/C=C(\c1ccc(F)cc1)N1CCC(c2ccsc2)CC1	776882643	PGIMYJNEJHREOX-BLLMUTORSA-N	312.413	4.631	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc3cc(F)ccc3o2)cc1	764892071	RYXKLINLFLPOHH-XNTDXEJSSA-N	305.308	4.670	50	20	DJGD	
Cc1ccccc1N(C)C(=O)CCCC[C@H]1CCSS1	857746168	XZOHKTXDLLFFJV-AWEZNQCLSA-N	309.500	4.672	50	20	DJGD	
CCCOc1ccc(/C=C(/C#N)C(=O)c2cc(C)cc(C)c2)cc1	918714340	SPSFBXAUJRYBQQ-UYRXBGFRSA-N	319.404	4.882	50	20	DJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1cnc(-c2ccco2)s1	1340616130	JWMOKMFAOZKYJO-UKTHLTGXSA-N	320.373	4.501	50	20	DJGD	
Cc1ccc(NNC(=O)c2sc3ccccc3c2Cl)cc1	120473434	MXWUAETWZGQVBY-UHFFFAOYSA-N	316.813	4.620	50	20	DJGD	
Cc1ccc(F)c(/C=C(\C#N)C(=O)c2ccc(Cl)cc2F)c1	773148862	FDVWHYUNVLILML-KPKJPENVSA-N	317.722	4.717	50	20	DJGD	
Cc1cc(/C(C#N)=C\c2cc(F)cc(Cl)c2)ccc1[N+](=O)[O-]	776720160	IKARNRGZRVYHJA-ACAGNQJTSA-N	316.719	4.760	50	20	DJGD	
Cc1cc(/C=C(\C#N)c2cnc3ccccc3n2)cc2cccnc12	790231865	ZJPWNQLOPIVLFZ-GZTJUZNOSA-N	322.371	4.551	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2sccc2Cl)cc1C	809146600	QRXGAANAPNQAIR-MDWZMJQESA-N	301.798	4.808	50	20	DJGD	
Cc1cc(/C=C(/C#N)c2nc(-c3ccncc3)cs2)ccc1F	103717590	KHDDMGCQLCBJRX-DHDCSXOGSA-N	321.380	4.717	50	20	DJGD	
C/C(=C/c1ccccc1Cl)C(=O)NNc1ccccc1Cl	756013655	ZWOUDZGNWZQZDR-KHPPLWFESA-N	321.207	4.540	50	20	DJGD	
N#C/C(=C\c1cccc(F)c1F)C(=O)c1ccc(Cl)cc1F	773151159	SHHLPTDHTIZHPT-UXBLZVDNSA-N	321.685	4.547	50	20	DJGD	
CC(C)c1ccc([C@@H](C)CC(=O)N(C)CC(Cl)Cl)cc1	819843991	XXEBHQJIPYBGGH-LBPRGKRZSA-N	316.272	4.566	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C\c3ccccc3OC(C)C)[nH]c12	735620188	WNHPJSBKDGWOLJ-WJDWOHSUSA-N	317.392	4.723	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cnc(-c2ccccc2)s1	794954118	OSTLOVBGGRIPEL-UVTDQMKNSA-N	310.422	4.722	50	20	DJGD	
CCc1cccc(C)c1NNC(=O)c1cc2ccccc2s1	799758162	ZMNOUCBKYVFIBU-UHFFFAOYSA-N	310.422	4.529	50	20	DJGD	
Cc1ccc(Cl)cc1NNC(=O)c1sccc1C(C)C	885125073	KACNHUDIFKFNRF-UHFFFAOYSA-N	308.834	4.590	50	20	DJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1ccccc1C	915844009	DTANFECKBDOKNF-UYRXBGFRSA-N	318.420	4.666	50	20	DJGD	
CCCCCOc1cc(/C=C(/C#N)c2ccccn2)ccc1OC	57770019	DKVBXTFORHBHMM-LGMDPLHJSA-N	322.408	4.723	50	20	DJGD	
C[C@@H](C(=O)NN(c1ccccc1)c1ccccc1)c1ccsc1	737466491	MQFBMRZULJGGNF-OAHLLOKOSA-N	322.433	4.721	50	20	DJGD	
CCCCCCCC(=O)NNc1ccccc1C(F)(F)F	888409138	SKPZWTYKEWSEGS-UHFFFAOYSA-N	302.340	4.509	50	20	DJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(Cl)c(C(F)(F)F)c1	727266905	JMVOBMGMSFODJA-CAXXOGMASA-N	315.722	4.881	50	20	DJGD	
CC(C)C(=O)/C(C#N)=C\c1ccc(N(C)Cc2cccs2)cc1	834417386	MYAOJZLUECZXPY-WJDWOHSUSA-N	324.449	4.517	50	20	DJGD	
CCCC1CCC(=NNC(=O)c2cc(C)nc3ccccc23)CC1	915922164	BLYISGXPXKWWAB-UHFFFAOYSA-N	323.440	4.619	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(CSC(F)F)o1	101907104	OMLSNBZRRAODCW-XFFZJAGNSA-N	313.369	4.648	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cnc(-c3ccco3)s2)cc1	789148477	PTJFPNYMYFNKSR-ZROIWOOFSA-N	320.373	4.501	50	20	DJGD	
COc1ccc(Cl)cc1/C=C(/C#N)c1nc(C2CC2)cs1	843266252	TWRYGJZEVGZSPD-SDQBBNPISA-N	316.813	4.747	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1ccc(Cl)c(F)c1	921270794	ZGCIQFWHPVKRFQ-IZZDOVSWSA-N	305.761	4.639	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(OC(C)C)cc2)s1	170933472	RTNLWCLUFUQKDN-XNTDXEJSSA-N	311.406	4.634	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1csc(-c2cccs2)n1	172692781	XCPBIFJHSYJYNR-OYGDSYQHSA-N	316.451	4.784	50	20	DJGD	
CCO[C@@H](C)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	191947658	KICKFSOJJAIWHI-QMMMGPOBSA-N	319.295	4.708	50	20	DJGD	
N#C/C(=C/c1ccc(N2CCCCC2)cc1)C(=O)C1CCCCC1	767712983	IQUMCAATNOXTGK-CYVLTUHYSA-N	322.452	4.733	50	20	DJGD	
CCOc1ccc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)cc1	797398051	DIKPOQZJISXKNN-GXDHUFHOSA-N	312.438	4.903	50	20	DJGD	
N#C/C(=C/c1csc2ccccc12)C(=O)OC1CCCCC1	834752516	XXOYOCIFYVGFKW-RAXLEYEMSA-N	311.406	4.684	50	20	DJGD	
COc1cccc(C(=O)/C(C#N)=C/c2ccc(C(C)(C)C)cc2)c1	915861853	CNQDXPIBWCGMJG-SFQUDFHCSA-N	319.404	4.783	50	20	DJGD	
Cc1ccsc1/C=C(/C#N)c1nc(-c2ccncc2)cs1	98125477	PLCXOXKSAXDZRC-JYRVWZFOSA-N	309.419	4.639	50	20	DJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3ccc(C)c(F)c3)c[nH]c2c1	731489789	MNKPOSSYCUECFD-NVNXTCNLSA-N	318.351	4.714	50	20	DJGD	
CCCN(N=CC[C@H](C)c1ccccc1)C(=O)OC(C)(C)C	794995707	MKNJPGHSWHTDPL-HNNXBMFYSA-N	304.434	4.813	50	20	DJGD	
CSc1ccc(C(=O)NNc2c(C)cccc2C(C)C)cc1	812765117	WLZOSNUVNLHDCI-UHFFFAOYSA-N	314.454	4.597	50	20	DJGD	
Cn1c(/C(C#N)=C\c2cc3ccccc3s2)nc2ccccc21	176952204	YPEGJXINJZCICB-KAMYIIQDSA-N	315.401	4.852	50	20	DJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc([C@@H]3C[C@@H]3C)o2)c1C	211977127	ORCKMQWUDYLYGM-NRXCIGNBSA-N	320.392	4.566	50	20	DJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccc2occc2c1	490944378	WDQSQRYLRVWPFV-BOPFTXTBSA-N	316.360	4.595	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C\c1c(OC)ccc2ccccc12	726184919	ZONIHGMDIWQUCI-VBKFSLOCSA-N	307.393	4.761	50	20	DJGD	
Cc1cc(/C=C(\C#N)C(=O)c2cc3ccccc3o2)cnc1Cl	760212000	RYJOBOJKRJRCQO-VGOFMYFVSA-N	322.751	4.580	50	20	DJGD	
Cc1cc(Cl)ccc1/C=C(/C#N)c1nc2ccccc2n1C	767341191	ULEQAUKWJDUMDU-UVTDQMKNSA-N	307.784	4.599	50	20	DJGD	
CC(C)=CCC/C(C)=C\C=NNC(=O)c1cn(C)c2ccccc12	744781488	ZQRGRSJIZAYAQJ-WIAARXSLSA-N	323.440	4.587	50	20	DJGD	
Cc1nc(/C(C#N)=C\c2nc(C(C)C)n3ccccc23)sc1C	762600054	GRKQHXAOLSXNGQ-ZROIWOOFSA-N	322.437	4.595	50	20	DJGD	
N#C/C(=C/c1ccc2c(c1)CCCC2)c1cnc2ccccc2n1	792890886	QUFDVDCTWQGAFH-PDGQHHTCSA-N	311.388	4.573	50	20	DJGD	
N#C/C(=C\c1ccc2occc2c1)C(=O)Nc1ccccc1Cl	794686480	BSYUEJSNUXWUKE-GXDHUFHOSA-N	322.751	4.632	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/c1cscc1C(F)(F)F	811628351	VETZEMICCWHHSK-BJMVGYQFSA-N	301.333	4.679	50	20	DJGD	
CC(=C/c1ccccc1OC(F)F)/C=C(\C#N)c1ccccn1	811685527	VIIMKYNASDEKSV-KXIMDHCPSA-N	312.319	4.693	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1oc2ccccc2c1C	812767229	GQHKGDJAJOOHQF-UHFFFAOYSA-N	322.408	4.930	50	20	DJGD	
N#C/C(=C\c1ccc2ncccc2c1)C(=O)c1c[nH]c2ccccc12	916140068	XLEVXRLMHDJLHQ-LFIBNONCSA-N	323.355	4.506	50	20	DJGD	
Cc1ccc(NNC(=O)c2ccc(C(C)(C)C)s2)cc1Cl	1322616121	QCTOJTRZMDPBRG-UHFFFAOYSA-N	322.861	4.764	50	20	DJGD	
C[C@@H](CF)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	287304978	WMYLCBBNRONMGD-ZETCQYMHSA-N	322.274	4.824	50	20	DJGD	
CC(C)CC(=O)/C(C#N)=C/c1cccc(OCc2ccccc2)c1	726120048	IIONIFQSAALDNH-XDHOZWIPSA-N	319.404	4.788	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc(C)ccc1OC(F)F	756789300	WVXAMNVXUFZRII-CJAAZZPWSA-N	307.340	4.509	50	20	DJGD	
Cc1ccc(-c2ncc(/C=C(\C#N)C(=O)c3ccoc3)s2)cc1	806558140	TUSNPEGGHWCVQV-OVCLIPMQSA-N	320.373	4.501	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(F)c(F)c(F)c2)cc1C	809145721	DNROKADAGCPBRZ-MKMNVTDBSA-N	315.294	4.511	50	20	DJGD	
CC(C)(C)C(=O)NN=Cc1ccc(-c2ccccc2Cl)s1	915968977	CWPNMMVELRAHAW-UHFFFAOYSA-N	320.845	4.565	50	20	DJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(Cl)c2)c(C)c1	59133147	OLOWRBSDJIZYPL-DHDCSXOGSA-N	310.784	4.503	50	20	DJGD	
CCCCn1nc(C)c(/C=C(\C#N)C(=O)C(CC)CC)c1Cl	726118011	HLXYRSGTRBJEEB-GXDHUFHOSA-N	321.852	4.557	50	20	DJGD	
CC(=NNC(=O)c1cc2c(s1)CCCCCC2)C1CCCC1	733076388	JTCCRCREHVHDDT-UHFFFAOYSA-N	318.486	4.703	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(C(F)F)cc2)s1	794874894	KPMZVHILXJBNHE-MDWZMJQESA-N	303.333	4.784	50	20	DJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2cccnc2Cl)s1	797407414	TWYRADWIKVZLJR-YRNVUSSQSA-N	303.818	4.553	50	20	DJGD	
O=C(NNc1ccccc1Cl)c1ccc(-c2ccccc2)cc1	912646432	ZNOXLOUNWPUJSM-UHFFFAOYSA-N	322.795	4.764	50	20	DJGD	
CCCCOc1ccc(/C=C(/C#N)c2ccccn2)cc1OCC	57395474	KGNDBDVLAJLSLM-LGMDPLHJSA-N	322.408	4.723	50	20	DJGD	
Cc1cccc(/C=C(/C#N)c2nc(-c3ccncc3)cs2)c1	58181572	VINZCMAMTRBYMN-YBEGLDIGSA-N	303.390	4.578	50	20	DJGD	
C[C@@H]1[C@@H](NC(=O)CCCC[C@H]2CCSS2)CCC[C@H]1C	302692599	VLGLLHULVIBOSR-QPSCCSFWSA-N	315.548	4.641	50	20	DJGD	
Cc1csc(/C(C#N)=C/c2ccc(SC(F)F)cc2)n1	588419552	VQBKWKYUUISIPT-IZZDOVSWSA-N	308.378	4.830	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C\c3ccc([C@@H]4C[C@@H]4C)o3)[nH]c12	735669459	PLURDEPDKCYURO-CYIYHYRUSA-N	303.365	4.652	50	20	DJGD	
Cc1cc(Cl)ccc1/C=C(/C#N)C(=O)Nc1ccccc1C	767341305	YJNFUBONXNEOJF-GDNBJRDFSA-N	310.784	4.503	50	20	DJGD	
N#C/C(=C/c1ccccc1C(F)(F)F)C(=O)C1CCCCC1	767711898	AGEUQEKPMCALQE-UVTDQMKNSA-N	307.315	4.762	50	20	DJGD	
Cc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc2cccnc12	783697407	QDBZMCOMVQRYBV-GZTJUZNOSA-N	315.332	4.516	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C\c3cccc(CCl)c3)[nH]c12	799891756	CDCINUGUWNPFNN-DHDCSXOGSA-N	307.784	4.674	50	20	DJGD	
Cc1csc(/C(C#N)=C/c2csc(-c3ccsc3)n2)n1	920397161	IADAIVYUUFQPPV-NYYWCZLTSA-N	315.448	4.701	50	20	DJGD	
BrCc1c(-c2ccsc2)n[nH]c1C1CCCC1	409443621	QNTNKWMQSKEDIC-UHFFFAOYSA-N	311.248	4.691	50	20	DJGD	
N#C/C(=C\c1ccc2ccccc2c1)C(=O)Nc1ccccc1F	7156547	BHMZAJRLBLVSDZ-SFQUDFHCSA-N	316.335	4.525	50	20	DJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)NC1CC1	184419346	FMOCHHRFFSFAOD-UHFFFAOYSA-N	302.268	4.628	50	20	DJGD	
N#C/C(=C/c1sccc1Cl)C(=O)c1c[nH]c2ccccc12	588600734	KELJAYPKPAQAJJ-YFHOEESVSA-N	312.781	4.673	50	20	DJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2ccccc2OC(C)C)c1	918714473	XRKDAYZXXYGUSV-XDHOZWIPSA-N	319.404	4.881	50	20	DJGD	
CCc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)o1	760212262	WCJDPACCXUNWKG-YRNVUSSQSA-N	324.767	4.767	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cc(F)c(F)cc2F)c1C	767712783	HUVGFBSPFHVECR-AWNIVKPZSA-N	315.294	4.511	50	20	DJGD	
Cc1cc(/C=C(/C#N)C(=O)c2ccc(Cl)cc2F)ccc1F	773154360	LUEQPLFTYUUDCS-GHXNOFRVSA-N	317.722	4.717	50	20	DJGD	
Cc1cc(F)ccc1/C=C(\C#N)c1cc(C(F)(F)F)ccn1	812248627	PWGKBQRXFHMSQG-KPKJPENVSA-N	306.262	4.612	50	20	DJGD	
CCc1cccc2c(/C=C(/C#N)C(=O)c3ccccc3)c[nH]c12	33619013	UCRPWTMGBXVRII-WJDWOHSUSA-N	300.361	4.520	50	20	DJGD	
FC(F)(F)C1CCN(c2ccc(CCl)cc2Cl)CC1	163916250	LNCGXHOAUHBSIE-UHFFFAOYSA-N	312.162	4.858	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc(F)ccc1Br	761175713	CWCPSWOHJSOOCZ-GHXNOFRVSA-N	324.193	4.500	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)CCCc1cccs1	812768612	YMCAAYWQBJZCGU-UHFFFAOYSA-N	316.470	4.646	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1coc2ccccc12	812768898	MGCJZXXZDYZGCK-UHFFFAOYSA-N	308.381	4.622	50	20	DJGD	
CCCCOC(=O)/C(C#N)=C/c1cc(-c2ccccc2)cs1	917517972	UNRORBYSIYUVAD-XNTDXEJSSA-N	311.406	4.665	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccccc1C	175637054	JOMZFVDGNQYGHC-UHFFFAOYSA-N	324.449	4.945	50	20	DJGD	
C[C@H](C(=O)NN(c1ccccc1)c1ccccc1)c1ccsc1	737466490	MQFBMRZULJGGNF-HNNXBMFYSA-N	322.433	4.721	50	20	DJGD	
C=CCCC(CC)=NNC(=O)c1cc(C)n(-c2ccccc2)c1C	750917563	JOWUSJKVVBOVHV-UHFFFAOYSA-N	323.440	4.556	50	20	DJGD	
N#C/C(=C\c1ccc(C(F)(F)F)s1)c1nc2ccccc2[nH]1	761377346	ROEFTFVPMNHVNH-VQHVLOKHSA-N	319.311	4.707	50	20	DJGD	
CCCN(N=C(C)CCc1ccsc1)C(=O)OC(C)(C)C	794997189	QLKRIEOUADUZDB-UHFFFAOYSA-N	310.463	4.704	50	20	DJGD	
CCc1cccc(C)c1NNC(=O)c1ccccc1C(C)(C)C	799759767	WEWKTIUWWYPNHV-UHFFFAOYSA-N	310.441	4.612	50	20	DJGD	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(SC(F)(F)F)cc1	22016108	NPOCSDISZFPNQV-DHZHZOJOSA-N	313.344	4.821	50	20	DJGD	
N#C/C(=C/c1ccc2ccccc2c1)c1cnc2ccccc2n1	191362020	CUEWSIPNTKZWDV-PDGQHHTCSA-N	307.356	4.847	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(Br)cc1F	741471341	ZHBKTHPBJRVSNA-BZPKPHBRSA-N	324.193	4.500	50	20	DJGD	
CCOc1c(Cl)cccc1/C=C(\C#N)C(=O)c1ccsc1	780004691	OVABVUZOVSQZHD-MDWZMJQESA-N	317.797	4.590	50	20	DJGD	
COc1ccccc1/C=C(\C#N)C(=O)c1cc2ccccc2s1	788331482	MZBGWOBDVPDCJE-XNTDXEJSSA-N	319.385	4.700	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@@H](C)c1ccccc1F	812764913	NASGKLCCUNAIEB-AWEZNQCLSA-N	314.404	4.504	50	20	DJGD	
Cc1cc(C)c(NNC(=O)c2csc3ccccc23)c(C)c1	743765038	VZYULMLPOPEZIM-UHFFFAOYSA-N	310.422	4.583	50	20	DJGD	
N#C/C(=C\c1cccc(F)c1)C(=O)Nc1cccc2ccccc12	6410868	VKKBMXTVZDEGJL-LFIBNONCSA-N	316.335	4.525	50	20	DJGD	
Cc1csc(/C(C#N)=C\c2ccc(Br)cc2C)n1	255157197	ZACJBRTUVILHLU-SDQBBNPISA-N	319.227	4.587	50	20	DJGD	
N#C/C(=C\c1sc2ccccc2c1Cl)C(=O)c1ccoc1	752884228	DQJUWASKFSMVDP-YRNVUSSQSA-N	313.765	4.938	50	20	DJGD	
N#C/C(=C\c1ccccc1C1CC1)C(=O)c1cc(F)cc(F)c1	772175136	FUIHQBJAPHASOA-VIZOYTHASA-N	309.315	4.632	50	20	DJGD	
N#C/C(=C\c1ccc(Cl)s1)C(=O)c1ccc2ncccc2c1	794883779	DIGRIOCSZGFUSC-UKTHLTGXSA-N	324.792	4.740	50	20	DJGD	
CC(C)CC[C@H]1CCCC1=NNC(=O)c1cccc(Cl)c1	727253505	GQDWNCXYYJUZPL-CYBMUJFWSA-N	306.837	4.662	50	20	DJGD	
N#C/C(=C/c1csc2ccccc12)C(=O)c1cccc(F)c1	772172489	QVTQSAPSWWCSJV-JYRVWZFOSA-N	307.349	4.830	50	20	DJGD	
Cc1nn(C(C)C)c(C)c1C(=O)/C=C\c1cccc(CCl)c1	799892393	HKLQOBRLPIBSST-HJWRWDBZSA-N	316.832	4.716	50	20	DJGD	
Cc1ccc(C)c(NNC(=O)c2coc3ccc(C(C)C)cc23)c1	804468784	VVYQMCCRLSFMDN-UHFFFAOYSA-N	322.408	4.930	50	20	DJGD	
Cc1cc(CNc2ccc(S(F)(F)(F)(F)F)cc2)n[nH]1	1325283559	HOQKTDITEYBNHY-UHFFFAOYSA-N	313.295	4.988	50	20	DJGD	
Cc1csc(/C(C#N)=C/C=C2\N(C)c3ccccc3C2(C)C)n1	8207215	KVOBSSYTHFXZJL-CCJRVLTRSA-N	321.449	4.670	50	20	DJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2cc(C)ccc2F)c1C	734981707	UUXZETHTMLVKND-BOPFTXTBSA-N	324.399	4.752	50	20	DJGD	
CCC[C@@H](C(=O)NNc1c(C)cc(C)cc1C)c1ccccc1	743764922	XGWTYVLIBJCEOC-GOSISDBHSA-N	310.441	4.639	50	20	DJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(C)cc(C)cc2C)c(C)c1	7750159	GUSCDWCJLJJJOA-WOJGMQOQSA-N	318.420	4.774	50	20	DJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1cccc2ccccc12	59133175	AQDBXOHTHHWSJW-VBKFSLOCSA-N	316.335	4.525	50	20	DJGD	
CC(C)c1ccc(CC=NNC(=O)c2cc3ccccc3o2)cc1	760249979	WFCUURFLOZXUCH-UHFFFAOYSA-N	320.392	4.515	50	20	DJGD	
C[C@H](CBr)CN[C@@H](C)c1csc2ccccc12	770668336	LLBDXWMYYBONEF-MNOVXSKESA-N	312.276	4.583	50	20	DJGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccsc2Cl)cc1	790101275	KUYTYGRMVPQORJ-LCYFTJDESA-N	316.813	4.510	50	20	DJGD	
Cc1cc(F)c(/C=C(/C#N)c2nc(C3CC3)cs2)c(F)c1	843268191	FZVAIJDWBVAGHO-WDZFZDKYSA-N	302.349	4.671	50	20	DJGD	
CCCCOc1ccc(/C=C(\C#N)C(=O)c2ccccc2F)cc1	8201744	ZSPNEGQYFQHYLB-DTQAZKPQSA-N	323.367	4.794	50	20	DJGD	
N#C/C(=C/c1cccc2ccccc12)C(=O)Nc1ccccc1F	33651948	KJRVYIWQMLZMOU-VBKFSLOCSA-N	316.335	4.525	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H](C)C(C)C	175629920	QEHDBKCNTHLHGB-LBPRGKRZSA-N	304.459	4.615	50	20	DJGD	
C[C@H](c1ccco1)N(C)C(=O)CCCC[C@@H]1CCSS1	252157614	HJLGWXLWOTWYGT-CHWSQXEVSA-N	313.488	4.513	50	20	DJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc([C@@H]3C[C@H]3C)o2)c(C)c1	255423886	XOJMIBGBVZDHJC-FJTRLSIBSA-N	320.392	4.566	50	20	DJGD	
Cc1cccnc1[C@H](NCCO[Si](C)(C)C(C)(C)C)C(C)C	788020131	NMCVHHBZKLACRR-MRXNPFEDSA-N	322.569	4.699	50	20	DJGD	
N#Cc1ccc2c(c1)CC/C(=C/c1cccc(CCl)c1)C2=O	799891533	GASUMZFSEGDZGM-MFOYZWKCSA-N	307.780	4.510	50	20	DJGD	
Cc1ncccc1/C=C(\C#N)c1nc(-c2ccccc2)cs1	171418800	ZUIOOSXLRULNGI-MHWRWJLKSA-N	303.390	4.578	50	20	DJGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc([C@@H]3C[C@H]3C)o2)cc1	733779697	HFBWLFDROYZCLW-JSQHWYJKSA-N	320.392	4.511	50	20	DJGD	
CSc1cc(/C(C#N)=C\c2cc3cc(C)c(C)cc3o2)ncn1	773177978	YSAWWQKRCJBBGD-AUWJEWJLSA-N	321.405	4.626	50	20	DJGD	
CCCN(N=C[C@H](C)CCc1ccccc1)C(=O)OC(C)(C)C	794995349	HGJXGFDBIJVCAO-MRXNPFEDSA-N	318.461	4.888	50	20	DJGD	
C/C(N)=C(/C#N)c1nc(-c2ccc(C(C)(C)C)cc2)c(C)s1	806552922	BQMZHUKZCHOHHH-RVDMUPIBSA-N	311.454	4.629	50	20	DJGD	
O=C(CCCC[C@H]1CCSS1)NCCCC1CCCC1	913153694	ZYBFSWODRBCLRW-HNNXBMFYSA-N	315.548	4.787	50	20	DJGD	
C[C@H](c1ccc(Cl)cc1)N(C(=O)CCl)c1ccccc1	1341523710	HKRIMNAEEGDJQE-GFCCVEGCSA-N	308.208	4.673	50	20	DJGD	
CC[C@@H](C)c1ccc(C(=O)NNc2ccc(Cl)cc2)cc1	749271034	PKFGRBVRTINBSW-GFCCVEGCSA-N	302.805	4.610	50	20	DJGD	
CC(C)c1ccc(NNC(=O)c2sccc2C(C)C)cc1	837055177	ANMBMWRQDYGFBG-UHFFFAOYSA-N	302.443	4.752	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cnc(-c2ccccc2)s1	125525513	VENQAGIWORVTEQ-OJNRTJSBSA-N	310.422	4.722	50	20	DJGD	
N#C/C(=C/c1coc2ccccc12)C(=O)Nc1ccccc1Cl	255238026	GDNXGBUEUUOKSH-XFXZXTDPSA-N	322.751	4.632	50	20	DJGD	
Cc1ccc(NC(=O)CCCC[C@@H]2CCSS2)cc1F	302688884	MYBJTXONZMQNBD-CYBMUJFWSA-N	313.463	4.787	50	20	DJGD	
C[C@H]1CCCC[C@@H]1C=NNC(=O)c1c(Cl)cccc1Cl	783839329	HGDOTRNSAOCIKL-WDEREUQCSA-N	313.228	4.535	50	20	DJGD	
Cc1cc(/C=C(\C#N)C(=O)CC(C)(C)C)cc(C)c1OC(F)F	918714403	UVVRGNXXPMWICA-RIYZIHGNSA-N	321.367	4.817	50	20	DJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3cc(C)ccc3C)n2)cc1	7212324	WGGWCZPJULZCDD-WOJGMQOQSA-N	315.376	4.726	50	20	DJGD	
Cc1ccc(-c2nc(/C=C(\C#N)c3ccccn3)cs2)cc1	60421413	ROSGSJMIFVMPNR-XNTDXEJSSA-N	303.390	4.578	50	20	DJGD	
N#C/C(=C/c1csc2ccccc12)c1cnc2ccccc2n1	588580272	DVVIABQCVRXYOA-LCYFTJDESA-N	313.385	4.909	50	20	DJGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(\C#N)C(=O)c2cc3ccccc3o2)o1	733782926	KWKOGBTWUZABKR-HAIRLQBDSA-N	317.344	4.939	50	20	DJGD	
N#C/C(=C/c1nccc2ccccc12)C(=O)c1c[nH]c2ccccc12	740764607	ZTRAJHWOGTWKTR-PTNGSMBKSA-N	323.355	4.506	50	20	DJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(F)c(Cl)c1Cl	761386220	OKGXSAYALVSZPR-NDVARNPJSA-N	300.160	4.655	50	20	DJGD	
O=C(CCCC[C@@H]1CCSS1)OC/C(Cl)=C/Cl	763897417	SLGWSRFNDAEYMO-UJICNMFASA-N	315.287	4.563	50	20	DJGD	
N#C/C(=C\c1csc(-c2cccs2)n1)C(=O)C1CCCC1	781554874	ACUIUQMDAJNZDJ-XYOKQWHBSA-N	314.435	4.538	50	20	DJGD	
Cc1ccc(CCC(=O)NNc2c(C)cccc2C(C)C)s1	812769071	SNOVCWMMJBSKBQ-UHFFFAOYSA-N	316.470	4.564	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C(C)=C1CCC1	839235945	PFUAYJCHSFZEKZ-UHFFFAOYSA-N	314.454	4.823	50	20	DJGD	
COc1cccc(/C=C(\C#N)C(=O)c2ccc(C(C)(C)C)cc2)c1	7211496	WETWZYQRRJZATB-SFQUDFHCSA-N	319.404	4.783	50	20	DJGD	
CC[C@H](Cl)c1nc2scc(-c3ccc(C)cc3)c2c(=O)[nH]1	43554319	JZFAXUGAULFOTG-LBPRGKRZSA-N	318.829	4.650	50	20	DJGD	
Cc1cc(C)cc(NNC(=O)c2ccc(C3CCCC3)cc2)c1	810045991	CERMUVYOXHOLIV-UHFFFAOYSA-N	308.425	4.718	50	20	DJGD	
O=C(NN=C1CCCCC12CCCC2)c1cc2ccccc2o1	814866640	CILSFTIFBKWPKH-UHFFFAOYSA-N	310.397	4.653	50	20	DJGD	
CCCN(N=C[C@H](CC)c1ccccc1)C(=O)OC(C)(C)C	814927616	XSQDJINNVCOPPU-HNNXBMFYSA-N	304.434	4.813	50	20	DJGD	
CO[C@H]1CCN(Cc2cccc(S(F)(F)(F)(F)F)c2)C1	1334916699	BBIAIPZIXZKOHW-NSHDSACASA-N	317.323	4.565	50	20	DJGD	
N#C/C(=C/c1ccc(Oc2ccccc2)o1)C(=O)c1ccccc1	35240688	ZUJXWKPISJDKPB-SSZFMOIBSA-N	315.328	4.862	50	20	DJGD	
N#C/C(=C/c1cccc(-c2cccnc2)c1)C(=O)c1ccsc1	255199234	CLEMPFZJZZKPFS-ZDLGFXPLSA-N	316.385	4.600	50	20	DJGD	
C/C(=C/c1cccc(Cl)c1)C(=O)NNc1cc(C)ccc1C	759658954	WSAKHMPKEMEGFU-UVTDQMKNSA-N	314.816	4.503	50	20	DJGD	
CC(C)(C#N)CCCOC(=O)CCCC[C@@H]1CCSS1	782342146	OIWDSWSXIOQAPR-CYBMUJFWSA-N	315.504	4.574	50	20	DJGD	
CN(Cc1cccc(S(F)(F)(F)(F)F)c1)CC(C)(C)O	892044807	PHQKKWHHEICDTO-UHFFFAOYSA-N	319.339	4.547	50	20	DJGD	
N#C/C(=C\c1ccc(Cl)c(F)c1)C(=O)c1cccc(Cl)c1	921265519	JFESNLIGNOHNIR-WUXMJOGZSA-N	320.150	4.922	50	20	DJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc3ccccc3o2)c(C)c1	192539016	PFWUPCZMDZOCGT-WJDWOHSUSA-N	316.360	4.595	50	20	DJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(N(C)c2ccccc2)cc1	726594753	PQVFWRLUQRRSPC-KXGFGANYSA-N	318.420	4.977	50	20	DJGD	
Cc1ccc(-c2ccc(/C=C(/C#N)c3ccncn3)s2)cc1	758916196	PKCYQNHUDPDIII-GDNBJRDFSA-N	303.390	4.578	50	20	DJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(Cl)c(F)c2)cc1	780806438	QLKQQZMYOFWRRF-UHFFFAOYSA-N	320.795	4.534	50	20	DJGD	
CC(C)n1nccc1/C=C(\C#N)c1nc(-c2ccccc2)cs1	794874435	YTVQGRJJMUKISP-XNTDXEJSSA-N	320.421	4.652	50	20	DJGD	
N#C/C(=C\c1ccc(Oc2ccccc2)o1)C(=O)c1ccsc1	182209614	YMDVPXBMLQCMFK-GXDHUFHOSA-N	321.357	4.923	50	20	DJGD	
N#C/C(=C/c1ccc(O)c(Cl)c1)C(=O)c1ccc(Cl)s1	588424582	BJXOTDCHCJJSNU-UITAMQMPSA-N	324.188	4.550	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(N2CCCCC2)cc1	741473411	IELZETZFPKEMJX-KXGFGANYSA-N	310.441	4.589	50	20	DJGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1ccc(SC(F)F)cc1	781548726	GCGLGPILSJHFQP-WQLSENKSSA-N	309.381	4.914	50	20	DJGD	
N#C/C(=C\c1ccc(C(F)F)cc1)C(=O)c1cccc(F)c1	794875996	ZQBXNDFKAKVEFD-RIYZIHGNSA-N	301.267	4.553	50	20	DJGD	
N#C/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)s1)C(=O)O	914872846	MSDLEKPZCOZNPQ-UITAMQMPSA-N	324.188	4.713	50	20	DJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1cc2cc(F)ccc2o1	1318695340	DTPUWEVYMVITOT-UVTDQMKNSA-N	305.308	4.670	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C/c2cc(F)c(F)c(F)c2)n1	255031287	SNCHBPNANGMQMD-XCVCLJGOSA-N	308.328	4.748	50	20	DJGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc(SC(F)(F)F)cc1	726120780	ZWWXFMLAZQOJKA-XYOKQWHBSA-N	313.344	4.821	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1cc2cc(F)ccc2o1	741844742	SGZARNQOQPBZTA-XYOKQWHBSA-N	311.337	4.732	50	20	DJGD	
CC[C@@H](C)c1ccc(C(=O)NNc2cccc(Cl)c2)cc1	755108564	LJCNBKXNWSNZHW-GFCCVEGCSA-N	302.805	4.610	50	20	DJGD	
N#C/C(=C\c1cscc1Cl)C(=O)c1cc2ccccc2o1	771837668	LCKMPTQEQOHJNH-VZUCSPMQSA-N	313.765	4.938	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cnc(C(C)(C)C)s2)cc1C	809160305	MGIAZZRFHRJEDG-DHDCSXOGSA-N	324.449	4.847	50	20	DJGD	
CCC(CC)N(CC)C(=O)CCCC[C@@H]1CCSS1	813857520	WVAKTUCKVDOWLJ-CQSZACIVSA-N	303.537	4.738	50	20	DJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C/c2ccccc2F)cc1	915862797	ZXUVJMIUNAHPEY-FOWTUZBSSA-N	307.368	4.913	50	20	DJGD	
N#C/C(=C/c1cc(Cl)cc(Cl)c1)C(=O)c1ccc(F)cc1	917519378	RFOHFNMMGCRJHR-XGICHPGQSA-N	320.150	4.922	50	20	DJGD	
Cc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1C	3616232	BFPMKVVGCBKSQM-XNTDXEJSSA-N	310.784	4.503	50	20	DJGD	
Cc1cccc(/C=C(\C#N)c2nc3ccccc3n2C(F)F)c1	23702183	AGLSEKXSMQYPTJ-GXDHUFHOSA-N	309.319	4.804	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cc(C)ccc1OC(F)F	794879557	SGHGWZDBXCASTO-LCYFTJDESA-N	307.340	4.509	50	20	DJGD	
CC(C)(CC(F)(F)F)NCc1ccc(OCCCCl)cc1	811492780	BVFXYIVHKFRDPM-UHFFFAOYSA-N	323.786	4.515	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CCCC1CC1	812861812	IFJWQJSJXUJMPE-UHFFFAOYSA-N	316.470	4.903	50	20	DJGD	
CCOc1ccc(/C=C(\C#N)c2nc(C3CC3)cs2)c(C)c1	849177969	ATKHUKNEGHFXMS-OQLLNIDSSA-N	310.422	4.792	50	20	DJGD	
C[C@H]1CN(C(=O)CCCC[C@@H]2CCSS2)c2ccccc21	915634933	OZZXCUBKSIKFDA-UONOGXRCSA-N	321.511	4.851	50	20	DJGD	
Cc1oc2ccccc2c1/C=C(\C#N)C(=O)c1ccccc1F	759035946	SLGIDTYFBZIMSW-JLHYYAGUSA-N	305.308	4.670	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1ccc(F)cc1Cl	767715000	SBXLANLXGOQKAB-IZZDOVSWSA-N	305.761	4.639	50	20	DJGD	
CC(C)(C)c1ccc(NNC(=O)c2cccc(F)c2Cl)cc1	780802092	FHFGJLSTUBIVNF-UHFFFAOYSA-N	320.795	4.534	50	20	DJGD	
CC[C@@H](NCCO[Si](C)(C)C(C)(C)C)c1nc(C)cs1	808746150	LMOKUQZYQKQNSH-CYBMUJFWSA-N	314.571	4.514	50	20	DJGD	
N#C/C(=C\c1cc(C#N)cs1)c1nc(-c2ccccc2)cs1	255383037	BJGQRKYFRPWMDD-VGOFMYFVSA-N	319.414	4.807	50	20	DJGD	
CCc1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)no2)s1	731156902	OVICAJSEVBZNCY-GXDHUFHOSA-N	321.405	4.733	50	20	DJGD	
CC(C)C(=NNC(=O)c1cccc(Cl)c1)C1CCCCC1	733906905	KCDTWYHINGIEMN-UHFFFAOYSA-N	306.837	4.662	50	20	DJGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2sccc2Cl)cc1	779753723	XIMSYPDXTKADLF-FMIVXFBMSA-N	316.813	4.510	50	20	DJGD	
Cn1c(/C(C#N)=C\c2ccc3c(c2)CCCC3)nc2ccccc21	792858766	LVLQAADCNUYCIT-AQTBWJFISA-N	313.404	4.516	50	20	DJGD	
CSc1ccccc1C(=O)NNc1c(C)cccc1C(C)C	812764988	QVEIUQRAQZDUSG-UHFFFAOYSA-N	314.454	4.597	50	20	DJGD	
COc1ccc(/C=C(\C#N)c2nc(C3CC3)cs2)c(Cl)c1	843265694	ONUDPEJCNOTROS-WUXMJOGZSA-N	316.813	4.747	50	20	DJGD	
O=C(CCCC[C@H]1CCSS1)Nc1cccc(Cl)c1	49784517	NWVNOCQWNIPQQE-ZDUSSCGKSA-N	315.891	4.993	50	20	DJGD	
Cc1ccccc1NNC(=O)c1sc2ccccc2c1Cl	120319458	IZNCPLVIQJYJCE-UHFFFAOYSA-N	316.813	4.620	50	20	DJGD	
COc1ccc2oc(/C=C(\C#N)C(=O)c3ccc(C)s3)cc2c1	179132640	ONOACBVHJMKUTB-UKTHLTGXSA-N	323.373	4.601	50	20	DJGD	
Cc1cc(/C=C(\C#N)C(=O)CC(C)C)ccc1Oc1cccnc1	732713800	HICOBWXXWQFAGC-GZTJUZNOSA-N	320.392	4.705	50	20	DJGD	
CCC(CC)(CC)NC(=O)CCCC[C@H]1CCSS1	741713734	HQFBYKNJSXBICK-ZDUSSCGKSA-N	303.537	4.786	50	20	DJGD	
CC(C)c1ncc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)s1	783688342	VNDCCHWHPSXUGQ-UITAMQMPSA-N	322.842	4.771	50	20	DJGD	
CC(=C\c1ccccc1)/C=C(\C#N)C(=O)Nc1c(C)cccc1C	915843767	ZDQRZLXSNICVAL-CAOIWOLBSA-N	316.404	4.795	50	20	DJGD	
CC[C@H](CCO)NCc1cccc(S(F)(F)(F)(F)F)c1	921766257	DODRIJOXGKVEND-LLVKDONJSA-N	319.339	4.595	50	20	DJGD	
N#C/C(=C\c1ccccc1)C(=O)c1c[nH]c2cc(Cl)ccc12	44027374	JGAQQCQFPJZAJY-MDWZMJQESA-N	306.752	4.611	50	20	DJGD	
CSc1cc(/C(C#N)=C\c2ccc(Cl)c(Cl)c2)ncn1	773176898	RDOUPXPIGLGFRS-WMZJFQQLSA-N	322.220	4.569	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1cc(F)cc(Cl)c1	776721201	ZRRUSYWHGMELBI-NYYWCZLTSA-N	305.761	4.639	50	20	DJGD	
C[C@@H]1CCCC[C@@H]1C=NNC(=O)c1c(Cl)cccc1Cl	783839326	HGDOTRNSAOCIKL-GHMZBOCLSA-N	313.228	4.535	50	20	DJGD	
CCc1cccc(Cl)c1/C=C(/C#N)C(=O)c1ccsc1	788734323	VWRZUIOPDHHPSD-JYRVWZFOSA-N	301.798	4.754	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C\c2c[nH]c(C(F)(F)F)c2)n1	834430540	RIKNXLVJQSHHLJ-KMKOMSMNSA-N	311.332	4.678	50	20	DJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2ccc([C@@H]3C[C@H]3C)o2)c1	918735252	GJVMZUPOZYKUTJ-SDKQKANHSA-N	305.377	4.810	50	20	DJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(C)ccc23)c(C)c1	920067914	GKESRAWGKASDDF-YVLHZVERSA-N	314.388	4.883	50	20	DJGD	
CCCCc1ccc([C@H](NC(=O)CCl)c2cccs2)cc1	1116434034	JXDFQTJGSNLJRQ-KRWDZBQOSA-N	321.873	4.535	50	20	DJGD	
C[C@@H]1[C@@H](NC(=O)CCCC[C@@H]2CCSS2)CCC[C@H]1C	302692594	VLGLLHULVIBOSR-BARDWOONSA-N	315.548	4.641	50	20	DJGD	
Cc1cc(Cl)ccc1/C=C(\C#N)c1cnc2ccccc2n1	790229124	YGGQLSGHLLKBNK-NTEUORMPSA-N	305.768	4.656	50	20	DJGD	
C[C@H](Nc1ccc(NC(=O)CCl)cc1Cl)c1ccccc1	1319683031	UTOMQQDCSADNOB-NSHDSACASA-N	323.223	4.690	50	20	DJGD	
Cc1cc(C)c(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)c(C)c1	735619484	NIQQYEYRBKEMOL-YBEGLDIGSA-N	301.393	4.861	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cccc(OC(C)C)c2)cc1	764886224	OKTTYOQVSRXDEW-WQRHYEAKSA-N	305.377	4.572	50	20	DJGD	
N#C/C(=C\c1ccc(-c2ccccc2F)o1)C(=O)C1CCCC1	781553748	WUCPKFMCHDCTRX-SDNWHVSQSA-N	309.340	4.752	50	20	DJGD	
N#C/C(=C\c1ccc(C#N)cc1)c1nc(-c2ccccc2)cs1	7352452	SKZOCWBKLYSQLX-LICLKQGHSA-N	313.385	4.746	50	20	DJGD	
CCOc1c(Cl)cccc1/C=C(/C#N)c1nc(C)c(C)s1	782340352	BDLUWCMQBNRSAL-JYRVWZFOSA-N	318.829	4.876	50	20	DJGD	
N#C/C(=C\c1sccc1Cl)C(=O)c1ccc2ncccc2c1	794883784	DIJOSRJTKDUDQP-UKTHLTGXSA-N	324.792	4.740	50	20	DJGD	
N#C/C(=C\c1csc2ccccc12)c1nc2ccccc2[nH]1	125166198	QUQGKAULNJGPJB-FMIVXFBMSA-N	301.374	4.842	50	20	DJGD	
N#C/C(=C/c1cccc(F)c1)C(=O)c1c[nH]c2cc(Cl)ccc12	206971520	ZCPUWQFIQSUYDO-SDQBBNPISA-N	324.742	4.750	50	20	DJGD	
CCc1cccc(C)c1NNC(=O)c1coc2cc(C)c(C)cc12	799757327	RELDTBOARJSSTF-UHFFFAOYSA-N	322.408	4.677	50	20	DJGD	
CCCn1cccc1/C=C(/C#N)C(=O)c1cc(C)n(CCC)c1C	918184227	ICRFOFBZKCWKRW-LGMDPLHJSA-N	323.440	4.516	50	20	DJGD	
CC(C)CC[C@H]1CCCC1=NNC(=O)c1ccccc1Cl	1251531208	YTZWOWNFUUFHAS-CYBMUJFWSA-N	306.837	4.662	50	20	DJGD	
N#C/C(=C\c1cscc1Cl)C(=O)Nc1ccc(Cl)cc1	771842968	VVNVAPUVIOPMKO-WEVVVXLNSA-N	323.204	4.601	50	20	DJGD	
CC(C)n1nccc1/C=C(\C#N)C(=O)c1ccc(C(C)(C)C)cc1	794874073	XCBFDBUJUXHLKY-FOWTUZBSSA-N	321.424	4.551	50	20	DJGD	
Cc1cc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)cc(C)c1O	797398765	KLHPSYNSTIAVII-ZSOIEALJSA-N	312.438	4.827	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C\c2nccn2-c2ccccc2)n1	588579045	LIAPJVOKWRDQTE-UVTDQMKNSA-N	320.421	4.516	50	20	DJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(C)s2)c(Cl)c1	729820761	YCSCGWHNPGNNJP-GHXNOFRVSA-N	317.797	4.508	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cccc(C(F)(F)F)c2)cc1	764892287	VMKFXLLRYHOSCQ-DHDCSXOGSA-N	315.294	4.804	50	20	DJGD	
Cc1cc(/C(C#N)=C/c2ccc(Cl)s2)ccc1[N+](=O)[O-]	774558479	KPJLCHDHEZPSBH-YRNVUSSQSA-N	304.758	4.682	50	20	DJGD	
Cc1ccc(-c2nc(/C=C(\C#N)C(=O)C3CCCC3)cs2)cc1	781552896	GFRLKDYMLIUKSV-MHWRWJLKSA-N	322.433	4.785	50	20	DJGD	
CN(C(=O)CCCC[C@H]1CCSS1)[C@@H]1CCC(C)(C)C1	794268645	BDUBJTCRCYHMBP-KGLIPLIRSA-N	315.548	4.738	50	20	DJGD	
CCCN(N=C1CC(C)(c2ccccc2)C1)C(=O)OC(C)(C)C	794996757	VEDKMMZBHLZCFI-UHFFFAOYSA-N	316.445	4.741	50	20	DJGD	
C=C(CNC(=O)CCCC[C@H]1CCSS1)c1ccccc1	805250055	KZVCETBSCHIRRT-INIZCTEOSA-N	321.511	4.530	50	20	DJGD	
CCc1cccc2c(/C=C(/C#N)C(=O)OC3CCCCC3)c[nH]c12	834747931	LILKMSAXHSIPTG-PTNGSMBKSA-N	322.408	4.513	50	20	DJGD	
C=CC[C@H]1CCCN(C(=O)CCCC[C@H]2CCSS2)C1	855440073	DPSRJGXXGYRLGK-GJZGRUSLSA-N	313.532	4.515	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccccc1	175630415	SXNBAIZBYLXSEU-UHFFFAOYSA-N	310.422	4.637	50	20	DJGD	
N#C/C(=C\c1cc(Cl)cs1)C(=O)c1cc2ccccc2o1	195226554	RHRRQCJCIMZIMW-VZUCSPMQSA-N	313.765	4.938	50	20	DJGD	
Cc1occc1C(=O)/C(C#N)=C\c1c(Cl)oc2ccccc12	761176075	HZNWKBXBRSSETO-FLIBITNWSA-N	311.724	4.778	50	20	DJGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1cc(F)ccc1Br	761176320	MSDPKSVTELYGIG-IZZDOVSWSA-N	324.193	4.500	50	20	DJGD	
Cc1cc(/C=C(\C#N)c2nc3ccccc3n2C)ccc1Cl	779706517	GMFXWNDPDUYVHX-GXDHUFHOSA-N	307.784	4.599	50	20	DJGD	
N#C/C(=C/c1ccc(F)c(C(F)(F)F)c1)C(=O)C1CCCC1	781555907	RPVVWGDRPYEFDY-GHXNOFRVSA-N	311.278	4.511	50	20	DJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2ccc(F)c(F)c2F)s1	853002601	PYGHGVRGTTZTOY-POHAHGRESA-N	322.355	4.922	50	20	DJGD	
Cc1ccccc1/C=C(\C#N)C(=O)c1c(C)[nH]c2ccccc12	5155499	JGSYAFHXFYKLQD-LFIBNONCSA-N	300.361	4.575	50	20	DJGD	
Cc1nc(/C(C#N)=C/c2cccc(-c3cccnc3)c2)sc1C	129036192	RVRADMUOSCSMSJ-VCHYOVAHSA-N	317.417	4.886	50	20	DJGD	
N#C/C(=C\c1cc(Br)ccc1Cl)c1ccccn1	178296305	HFIGBWQYJWPCRR-YRNVUSSQSA-N	319.589	4.562	50	20	DJGD	
Cc1ccc2cc(/C=C(/C#N)c3ccccn3)c(Cl)nc2c1	211372720	PQHUOPBXMUAZLU-GDNBJRDFSA-N	305.768	4.656	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccc2c(c1)CC(C)(C)O2	729150886	PQXYPJLXPLSOJZ-DHDCSXOGSA-N	323.417	4.560	50	20	DJGD	
CCc1ccc(/C=C(/C#N)C(=O)c2cccc(Cl)c2)s1	731156227	BGFOZHBQCBHICI-XFXZXTDPSA-N	301.798	4.754	50	20	DJGD	
N#C/C(=C/c1cc2cc(F)ccc2o1)C(=O)c1ccccc1F	741848443	LVAHFPGKJFIHJJ-XFXZXTDPSA-N	309.271	4.501	50	20	DJGD	
N#C/C(=C/C=C/c1ccccc1)c1cc(C(F)(F)F)ccn1	812248092	CXIQYEHYAVRGEY-UQAUATQKSA-N	300.283	4.721	50	20	DJGD	
O=C(CCCC[C@@H]1CCSS1)NCCCC1CCCC1	913153695	ZYBFSWODRBCLRW-OAHLLOKOSA-N	315.548	4.787	50	20	DJGD	
CCCN(N=C[C@@H](C)CCc1ccccc1)C(=O)OC(C)(C)C	794995348	HGJXGFDBIJVCAO-INIZCTEOSA-N	318.461	4.888	50	20	DJGD	
C[C@@H](NCc1ccc(OCCCCl)cc1)c1ccsc1	811502224	NGQYOCIGGHUGMI-CYBMUJFWSA-N	309.862	4.607	50	20	DJGD	
CCCCOc1ccc(/C=C(/C#N)C(=O)c2ccsc2)cc1	915989323	DLSNSDATLGOHJI-WJDWOHSUSA-N	311.406	4.717	50	20	DJGD	
C[C@@]1(NCc2cccc(S(F)(F)(F)(F)F)c2)CCOC1	921934582	ROWWATPNCLOUPD-GFCCVEGCSA-N	317.323	4.613	50	20	DJGD	
Cc1cc(/C=C(\C#N)c2nc(-c3ccncc3)cs2)ccc1F	171510829	KHDDMGCQLCBJRX-OQLLNIDSSA-N	321.380	4.717	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C[C@@H](C)CC	191865486	NVVSFZCMOVAUMG-LBPRGKRZSA-N	304.459	4.759	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc2c(c1)CCC(C)(C)O2	741470110	QHYBXHRGJVTRED-VMOJBDSFSA-N	311.425	4.702	50	20	DJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)c1cocn1	762520624	LWACEKCFJHAQLI-UHFFFAOYSA-N	314.235	4.584	50	20	DJGD	
Cc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)s1	6410877	DSEGYBONLZQSND-RVDMUPIBSA-N	318.401	4.755	50	20	DJGD	
Cc1cc(C)c(/C=C(\C#N)c2nc3ccccc3n2C)cc1C	21362069	VLIPUYCFOLDAGT-GZTJUZNOSA-N	301.393	4.563	50	20	DJGD	
Clc1cccc(COC2(CBr)CCCC2)c1	83473522	WPCGIHKMIDDHKG-UHFFFAOYSA-N	303.627	4.564	50	20	DJGD	
CCc1ccc(NC(=O)CCCC[C@H]2CCSS2)cc1	302690459	REWKBEWIZJCIFT-HNNXBMFYSA-N	309.500	4.902	50	20	DJGD	
Cc1ccccc1-c1cccc(/C=C(/C#N)C(=O)OC(C)C)c1	729641566	NOXWBMUWDCMIDW-PDGQHHTCSA-N	305.377	4.521	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C/c2csc(C3CC3)n2)n1	747436422	DEEZGZVRVGOGKH-VZUCSPMQSA-N	301.440	4.665	50	20	DJGD	
N#C/C(=C/c1ccc(Cl)nc1)c1nc2cc(F)ccc2s1	749006467	WKIJJDXGWQLFCX-YHYXMXQVSA-N	315.760	4.548	50	20	DJGD	
CSc1cc(/C(C#N)=C/c2cc3cc(C)c(C)cc3o2)ncn1	773177997	YSAWWQKRCJBBGD-VGOFMYFVSA-N	321.405	4.626	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C/c2ccc3cnccc3c2)n1	780005102	SKWJLDYQNTWLOM-LZYBPNLTSA-N	305.406	4.879	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cc(C)n(Cc2ccco2)c1C	794872931	AOJIQYYTIHTELU-BOPFTXTBSA-N	324.424	4.659	50	20	DJGD	
CCCCOc1ccc(/C=C(/C#N)C(=O)c2ccoc2C)cc1	213022418	DXXFGJBTMBZFMA-VBKFSLOCSA-N	309.365	4.557	50	20	DJGD	
CC(C)(C)c1ccc(NNC(=O)c2cc3ccccc3s2)cc1	780806350	MHUOBNMIGASUCW-UHFFFAOYSA-N	324.449	4.956	50	20	DJGD	
O=C(CCCC[C@H]1CCSS1)Nc1cc(F)cc(F)c1	849212645	LVFKHQPRHPHULO-ZDUSSCGKSA-N	317.426	4.617	50	20	DJGD	
N#C/C(=C/c1ccc(C(F)F)cc1)C(=O)c1ccc(F)cc1	794871551	BVRMRZSILVNASV-ZROIWOOFSA-N	301.267	4.553	50	20	DJGD	
C[C@@H]1CN(C(=O)CCCC[C@@H]2CCSS2)c2ccccc21	915634934	OZZXCUBKSIKFDA-ZIAGYGMSSA-N	321.511	4.851	50	20	DJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccccc1OC(C)C	1317666794	AOCRZYAYRVEZJC-ATVHPVEESA-N	305.377	4.572	50	20	DJGD	
C/C=C(\CC)C(=O)Nc1c(CC)cc(SC#N)cc1CC	188424886	RWBIENIGJHSZJM-LFYBBSHMSA-N	302.443	4.679	50	20	DJGD	
CSc1cc(/C(C#N)=C/c2ccc(C(C)(C)C)cc2)ncn1	773175857	HZJRYYXLIGVQNU-NTEUORMPSA-N	309.438	4.560	50	20	DJGD	
N#C/C(=C/c1cc(Cl)cs1)C(=O)c1ccc2ncccc2c1	794885876	WPYJQFZCPILHMV-QPEQYQDCSA-N	324.792	4.740	50	20	DJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3ccc(C)cc3C)n2)cc1	7212321	AMPYEBBAOWSZEN-WOJGMQOQSA-N	315.376	4.726	50	20	DJGD	
Cc1ccc(/C=C(\C#N)c2nc3ccccc3n2C(F)F)cc1	23702165	YHTOCSYSSSVJGD-GXDHUFHOSA-N	309.319	4.804	50	20	DJGD	
C[C@@H](c1ccccc1)N(C)C(=O)CCCC[C@H]1CCSS1	52917687	PFODRPMABMWNSB-HOCLYGCPSA-N	323.527	4.920	50	20	DJGD	
COc1ccsc1/C=C(\C#N)c1ncc(C(C)(C)C)s1	797399245	QOFUWLPHFCXFEE-JXMROGBWSA-N	304.440	4.575	50	20	DJGD	
Cc1cc(C(=O)NNc2c(C)cccc2C(C)C)sc1C	812762780	KLTIWFLBOXMCEU-UHFFFAOYSA-N	302.443	4.554	50	20	DJGD	
CCCN(N=C1CC(c2ccccc2)C1)C(=O)OC(C)(C)C	814927493	QJGDLJZCLRCYNO-UHFFFAOYSA-N	302.418	4.567	50	20	DJGD	
N#CC(C#N)=CNc1ccccc1Sc1ccc(Cl)cc1	15240950	LIHCKQCBARIYQM-UHFFFAOYSA-N	311.797	4.834	50	20	DJGD	
O=C(Nc1ccccc1S[C@H](Cl)C(F)(F)F)C1CCC1	73825434	CLJQBRDAISKJTO-LBPRGKRZSA-N	323.767	4.645	50	20	DJGD	
CCN(CC)c1ccc(/C=C(\C#N)c2nc(C)cs2)cc1F	172616243	DNLDBBBLTURTMU-RIYZIHGNSA-N	315.417	4.501	50	20	DJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(C)c(F)c2)c1C	303365283	INFQJWCWJAPJEY-LICLKQGHSA-N	324.399	4.752	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(OC)c2ccccc12	741469916	NKCCRMJOIIKMSY-AOHITCTBSA-N	307.393	4.761	50	20	DJGD	
CC[C@@H](C)c1ccc(C(=O)NNc2cccc3cnccc23)cc1	748767534	SJCUQVUBLQELKD-CQSZACIVSA-N	319.408	4.505	50	20	DJGD	
C/C(=C\c1c(Cl)cccc1Cl)C(=O)NNc1ccccc1	768300606	UQKWBHYPUVEGKL-ZHACJKMWSA-N	321.207	4.540	50	20	DJGD	
Cc1nc(/C(C#N)=C\c2cccc(-c3cccnc3)c2)sc1C	768490766	RVRADMUOSCSMSJ-ZDLGFXPLSA-N	317.417	4.886	50	20	DJGD	
Cc1ccc(-c2ccc(C(=O)NNc3ccccc3)c(F)c2)cc1	111553909	JIOFEKVVEPHPJX-UHFFFAOYSA-N	320.367	4.558	50	20	DJGD	
N#C/C(=C\c1ccc(C#N)s1)c1nc(-c2ccccc2)cs1	176404811	ATFKHEWPDZKSKF-MDWZMJQESA-N	319.414	4.807	50	20	DJGD	
N#C/C(=C\c1ccc2ccccc2c1)c1cnc2ccccc2n1	588580225	CUEWSIPNTKZWDV-LDADJPATSA-N	307.356	4.847	50	20	DJGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1cscc1C(F)(F)F	811628467	YINBQUIKMRPFRU-WTKPLQERSA-N	301.333	4.679	50	20	DJGD	
C=CCOc1ccc(/C=C(/C#N)C(=O)c2ccccc2)cc1Cl	727263474	ARTVKJQEQURTCA-WJDWOHSUSA-N	323.779	4.695	50	20	DJGD	
CCC[C@@H](C(=O)NNc1c(F)cccc1Cl)c1ccccc1	770198376	ZBNDTAKIHYBPFW-CYBMUJFWSA-N	320.795	4.506	50	20	DJGD	
CC[C@H](C)c1ccc(C(=O)NNc2ccc3ccccc3n2)cc1	777465148	GRUIFLDCDLOTDO-AWEZNQCLSA-N	319.408	4.505	50	20	DJGD	
CC(C)c1ncc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)s1	812246248	HHWZMLXJFBOKMN-BJMVGYQFSA-N	323.343	4.744	50	20	DJGD	
CC[C@H](C)C[C@H](C)NC(=O)CCCC[C@H]1CCSS1	742720140	QNMBZDCWUZDYNB-IHRRRGAJSA-N	303.537	4.641	50	20	DJGD	
CC(C)c1cccc(-c2ccc(C(=O)NNc3ccccc3)o2)c1	776458277	ZUESLVSXVYPIPQ-UHFFFAOYSA-N	320.392	4.827	50	20	DJGD	
CSc1ccsc1C(=O)NNc1c(C)cccc1C(C)C	812766591	KGKFGNJMAOJVLY-UHFFFAOYSA-N	320.483	4.659	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)C(C)(C)c1ccccc1	812769639	QKSUIABVTLHRQP-UHFFFAOYSA-N	310.441	4.539	50	20	DJGD	
N#C/C(=C/c1cnc(C2CCC2)s1)c1nc(C2CC2)cs1	843263740	DTFTXTKZYOBDBU-SDQBBNPISA-N	313.451	4.809	50	20	DJGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1ccc(N2CCCCC2)cc1	918712855	CEVWCTHWNSMUSV-LGMDPLHJSA-N	310.441	4.589	50	20	DJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2c(Cl)cccc2Cl)o1	48639731	JBXCJJMJCPWXLU-JXMROGBWSA-N	306.148	4.685	50	20	DJGD	
CCSc1ccc(Cl)cc1C(=O)NNc1ccc(C)cc1	158880548	XFOVSEACGYRKEI-UHFFFAOYSA-N	320.845	4.517	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cccc(-c2cccnc2)c1	255659872	FNOHVTZENXSJHA-VUFYJBQKSA-N	304.393	4.661	50	20	DJGD	
CN(CCF)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	296762849	JBEMDRLCLYCGMP-UHFFFAOYSA-N	322.274	4.777	50	20	DJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2coc3ccccc23)c1C	746523318	UWZJQILCHZDIMA-GDNBJRDFSA-N	316.360	4.595	50	20	DJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2csc(C3CC3)n2)s1	797398614	JFWPQCLIIOUTJM-IZZDOVSWSA-N	315.467	4.839	50	20	DJGD	
C/C(=C/c1cccc(Cl)c1)C(=O)NNc1ccc(Cl)cc1	810683819	JXJYTHOCLOGCMG-LUAWRHEFSA-N	321.207	4.540	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccsc1C(F)(F)F	863190157	NRDJUICNZWPRHX-YFHOEESVSA-N	301.333	4.679	50	20	DJGD	
CCc1cccc(NC(=O)CCCC[C@H]2CCSS2)c1	61476622	JCKLNJWTZCZHMA-HNNXBMFYSA-N	309.500	4.902	50	20	DJGD	
Cc1csc(/C(C#N)=C/c2cnc(-c3ccccc3)s2)n1	193862932	GFEMQDNGGWPMCM-NTUHNPAUSA-N	309.419	4.639	50	20	DJGD	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)c2ccc(C)s2)cc1	729822803	AWRYZXLONMYNRI-VBKFSLOCSA-N	324.449	4.693	50	20	DJGD	
CC[C@H](C)c1ccc(C(=O)NNc2cccc3cnccc23)cc1	748767526	SJCUQVUBLQELKD-AWEZNQCLSA-N	319.408	4.505	50	20	DJGD	
Cc1cc(Cl)ccc1C(=O)NNc1ccc(C(C)(C)C)cc1	780806040	RKCPEIGQMWQYOV-UHFFFAOYSA-N	316.832	4.703	50	20	DJGD	
COCc1ccccc1/C=C(C)/C=C(\C#N)C(=O)c1ccccc1	814188236	XODGPYOAWUVXEK-GEEUODSKSA-N	317.388	4.569	50	20	DJGD	
C[C@@H](O)C[C@@H](C)NCc1cccc(S(F)(F)(F)(F)F)c1	921986747	NLGWGUHNWFUVSK-NXEZZACHSA-N	319.339	4.593	50	20	DJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(C)cc2)c1C	7210200	HEBOWRQXACSXFW-LDADJPATSA-N	306.409	4.613	50	20	DJGD	
N#C/C(=C/c1ccccc1C#N)c1nc2cc(Cl)ccc2s1	179324769	YDWVLEZCRYMAJM-QPEQYQDCSA-N	321.792	4.886	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccccc1OC1CCCC1	726118886	RWUWVRDVQGWUQV-GHRIWEEISA-N	311.425	4.920	50	20	DJGD	
Cc1occc1C(=O)/C(C#N)=C/c1cnc(-c2ccccc2)s1	727264677	UWOCWQNQHWLHNF-NTEUORMPSA-N	320.373	4.501	50	20	DJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2ccc(COC)cc2)cc1	741851509	BNCTXELKBRMQPE-DEDYPNTBSA-N	319.404	4.575	50	20	DJGD	
N#C/C(=C\c1ccc(Cl)cc1F)C(=O)c1cc(F)cc(F)c1	772176024	KEFSSYMDXDDJSN-QDEBKDIKSA-N	321.685	4.547	50	20	DJGD	
Cc1cc(/C(C#N)=C/c2cc(Cl)cs2)ccc1[N+](=O)[O-]	782352038	PMZANCJWBGQTBJ-VZUCSPMQSA-N	304.758	4.682	50	20	DJGD	
N#C/C(=C/c1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1	753683086	LTMSQJZVMHCNAI-WQLSENKSSA-N	317.175	4.539	50	20	DJGD	
N#C/C(=C\c1cc(F)c(F)cc1F)C(=O)c1cccc(Cl)c1	767716880	GXIURLONIXTOIM-NYYWCZLTSA-N	321.685	4.547	50	20	DJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2ccc(Cl)s2)c1	918712960	FEGVDQXKEFQTCB-MDWZMJQESA-N	301.798	4.808	50	20	DJGD	
Cc1cc(C)cc(/C=C(/C#N)C(=O)c2c[nH]c3cc(F)ccc23)c1	195713858	RBOAYYVMFBQYTF-NVNXTCNLSA-N	318.351	4.714	50	20	DJGD	
N#C/C(=C/c1ccc2occc2c1)C(=O)c1cc(F)cc(F)c1	794690229	HMHDOORMPOWPRI-NSIKDUERSA-N	309.271	4.501	50	20	DJGD	
C[C@H](NCc1ccc(OCCCCl)cc1)c1ccsc1	811502225	NGQYOCIGGHUGMI-ZDUSSCGKSA-N	309.862	4.607	50	20	DJGD	
O=C(CCCC[C@@H]1CCSS1)N(C1CCC1)C1CCC1	814167026	WGKPCXBQZRJVBW-OAHLLOKOSA-N	313.532	4.634	50	20	DJGD	
O=C(NN=C1CCC(=C2CCC2)CC1)c1cc2ccccc2o1	853316385	OXZIBABPWLHSTC-UHFFFAOYSA-N	308.381	4.573	50	20	DJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cc2ccccc2o1	11287604	FMEOYDIUFMBXJW-LFIBNONCSA-N	316.360	4.595	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc(C(F)(F)F)ccc1F	733207157	VVUDGGWVEZOTDK-GHXNOFRVSA-N	313.294	4.757	50	20	DJGD	
N#C/C(=C/c1ccc(-c2cccc(Cl)c2)s1)c1ccncn1	758917063	VQJNCGBMKFKZDX-LCYFTJDESA-N	323.808	4.923	50	20	DJGD	
N#C/C(=C\c1ccc(C(F)(F)F)s1)C(=O)c1ccccc1	761374784	DGYCRMQKOCBFCD-DHZHZOJOSA-N	307.296	4.557	50	20	DJGD	
Cc1cc(/C(C#N)=C\c2cc(Cl)ccc2F)ccc1[N+](=O)[O-]	774557996	HNFCGOACGMTDDR-QPEQYQDCSA-N	316.719	4.760	50	20	DJGD	
Cc1ccc(-c2nc(/C=C(/C#N)C(=O)C3CCCC3)cs2)cc1	781552897	GFRLKDYMLIUKSV-YBEGLDIGSA-N	322.433	4.785	50	20	DJGD	
N#C/C(=C\c1ccc(Cl)nc1)C(=O)c1cc2ccccc2s1	788361218	XDAQDJYSTHBKMO-NTUHNPAUSA-N	324.792	4.740	50	20	DJGD	
Cc1cccc(/C=C(\C#N)C(=O)c2ccc3ncccc3c2)c1C	794885827	WIUYEYHIPHNKEO-YBFXNURJSA-N	312.372	4.642	50	20	DJGD	
CCC(C=NNC(=O)c1c(Cl)cccc1Cl)(CC)CC	814833201	CQBYFMHPSQCODS-UHFFFAOYSA-N	315.244	4.925	50	20	DJGD	
N#C/C(=C\c1ccccc1Cl)C(=O)c1c[nH]c2cc(F)ccc12	915990027	HUGPZAILHDMZFY-KPKJPENVSA-N	324.742	4.750	50	20	DJGD	
N#C/C(=C\c1ccc(Cl)cc1)C(=O)c1cccc(Cl)c1	11297235	LYVWVHNIFXMNJC-MDWZMJQESA-N	302.160	4.783	50	20	DJGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)C1CCCCC1	15434646	PAVHEDNQYBBBEC-UHFFFAOYSA-N	321.635	4.670	50	20	DJGD	
C[C@@H](CF)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	287200428	QERJKMITXHLHHV-ZETCQYMHSA-N	322.274	4.824	50	20	DJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3ccc(F)cc3C)n2)cc1	750892471	HNEMGJWMYWYAIC-MHWRWJLKSA-N	319.339	4.557	50	20	DJGD	
N#C/C(=C/c1ccsc1Cl)C(=O)Nc1ccc(Cl)cc1	790102154	YYXGJBMQXZBCDL-YFHOEESVSA-N	323.204	4.601	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cccc(CCl)c2)cc1C	809160382	OANRMHIAEJDBJB-ZDLGFXPLSA-N	309.796	4.832	50	20	DJGD	
COCc1ccccc1/C=C(C)/C=C(\C#N)C(=O)C1CCCCC1	814190002	MZNZZMKNJGHHIW-GEEUODSKSA-N	323.436	4.836	50	20	DJGD	
C[C@@H](COC(=O)CCCC[C@@H]1CCSS1)CC(F)F	842438543	DMAWFCOPRWKVMC-GHMZBOCLSA-N	312.447	4.535	50	20	DJGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1ccc(-c2ccc(F)cc2)o1	918712747	BIIFHJNIANXRNG-UVTDQMKNSA-N	311.356	4.998	50	20	DJGD	
N#C/C(=C\c1ccc(F)c(F)c1)C(=O)c1cc2ccccc2o1	192756408	VBTJCXQTSAWVFJ-NTUHNPAUSA-N	309.271	4.501	50	20	DJGD	
Cc1ccc(C)c(/C=C(/C#N)C(=O)c2c[nH]c3cc(F)ccc23)c1	195620316	JQHXCEAQMIXGBQ-NVNXTCNLSA-N	318.351	4.714	50	20	DJGD	
CC(C)ONC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	296809357	LYIUWDHANLTGRZ-UHFFFAOYSA-N	320.283	4.806	50	20	DJGD	
C[C@H](NC(=O)CCCC[C@H]1CCSS1)c1ccsc1	801115699	BSSYNFOIJBBXPX-AAEUAGOBSA-N	315.529	4.639	50	20	DJGD	
N#C/C(=C\c1ccc(O)c(Cl)c1)c1ccc2ccccc2n1	921269978	QKNRNQCTOOLARJ-NTEUORMPSA-N	306.752	4.658	50	20	DJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccccc2Cl)c(C)c1	213102009	DHQVEKURYCDYNU-YBEGLDIGSA-N	324.811	4.811	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2ccc([C@@H]3C[C@H]3C)o2)c1C	727827558	HAILLRMNAAAEAY-DZPOILEGSA-N	305.377	4.810	50	20	DJGD	
CCc1ccc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)no2)s1	731156903	OVICAJSEVBZNCY-UVTDQMKNSA-N	321.405	4.733	50	20	DJGD	
Cc1cc(C)c(NNC(=O)c2sccc2C(C)C)c(C)c1	743762210	MMUIDVMGKLTDDM-UHFFFAOYSA-N	302.443	4.554	50	20	DJGD	
Cc1ccc(F)cc1/C=C(\C#N)c1ncc(C(C)(C)C)s1	797398716	JSYZNAPEISPMIV-NTUHNPAUSA-N	300.402	4.952	50	20	DJGD	
Cc1csc(/C(C#N)=C/c2ccc3c(c2)CCC(C)(C)O3)n1	797405514	YVDINDKJRMQTHZ-OQLLNIDSSA-N	310.422	4.619	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C(CC)CC	812861214	LLMGWQMRNSYMFE-UHFFFAOYSA-N	304.459	4.759	50	20	DJGD	
Cc1cc(C)cc(/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)c1	921259332	OBFMLDAEBBOQNX-BOPFTXTBSA-N	314.388	4.883	50	20	DJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc3ccccc3o2)c1C	11289625	KXQXFFISTNWDKJ-LFIBNONCSA-N	316.360	4.595	50	20	DJGD	
N#C/C(=C/c1ccc2ccccc2c1)C(=O)c1ccccc1F	212679854	SUISKCPVOWCUAL-ATVHPVEESA-N	301.320	4.769	50	20	DJGD	
CCCOc1cccc(/C=C(/C#N)C(=O)c2ccc(C)s2)c1	729819829	GCXRCOFIWBKPDI-GDNBJRDFSA-N	311.406	4.635	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc3cnccc3c2)cc1C	809145782	FYZCWUQUURYHQX-JAIQZWGSSA-N	312.372	4.642	50	20	DJGD	
Cc1cc(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)c1	921262728	XKMOITSXQOWSPY-YBEGLDIGSA-N	324.811	4.811	50	20	DJGD	
N#C/C(=C/c1ccc2ccccc2c1)C(=O)c1ccc(F)cc1	212697319	GPYBOMIXDMFJDM-PDGQHHTCSA-N	301.320	4.769	50	20	DJGD	
CC(C)C[C@H](C(=O)NNc1cccc(Cl)c1)c1ccccc1	740815339	SFDXVHQQKSUFAW-KRWDZBQOSA-N	316.832	4.613	50	20	DJGD	
COc1ccccc1-c1ccc(/C=C(\C#N)C(=O)CC(C)C)cc1	741467020	JDJFIVUTVGJQFY-QGOAFFKASA-N	319.404	4.884	50	20	DJGD	
Cc1cc(C)c(C=NNC(=O)c2ccc3ccccc3c2)c(C)c1	917547423	SRTNFRIQCRXSRF-UHFFFAOYSA-N	316.404	4.529	50	20	DJGD	
Cc1ccc(C)c(/C=C(\C#N)C(=O)c2c[nH]c3cc(C)ccc23)c1	920068586	SANLDGWZIWVUKG-LICLKQGHSA-N	314.388	4.883	50	20	DJGD	
CC(=O)c1ccc(NC(=O)CCCC[C@@H]2CCSS2)cc1	28309345	ROJNPIIVGHNDOZ-OAHLLOKOSA-N	323.483	4.542	50	20	DJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)c(C)cc2C)c(C)c1	207860917	DYZXTLHLHACBIP-ODLFYWEKSA-N	318.420	4.774	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(C(C)C)c([N+](=O)[O-])c1	741473778	KYYULZSGXKXXFH-MLJKTZRHSA-N	314.385	4.630	50	20	DJGD	
Cc1cc(/C(C#N)=C\c2cc3cc(F)ccc3o2)ccc1[N+](=O)[O-]	774557341	DKBFWEUYCJWEFM-ZROIWOOFSA-N	322.295	4.853	50	20	DJGD	
CC(C)c1ccsc1C(=O)NNc1ccc(C(C)(C)C)cc1	780806080	UTBCYMRBQVVKDD-UHFFFAOYSA-N	316.470	4.926	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(SC(F)F)cc1	781548725	GBYAPYDBKRYKIA-UKTHLTGXSA-N	309.381	4.914	50	20	DJGD	
C[C@@H]1CN(C(=O)CCCC[C@@H]2CCSS2)CC(C)(C)C1	784713668	MURODTBMPVFRSA-UONOGXRCSA-N	315.548	4.595	50	20	DJGD	
Cc1csc(C(=O)NNc2ccc(C(C)C)cc2)c1Cl	837056834	DCHSBPDWRAPQAR-UHFFFAOYSA-N	308.834	4.590	50	20	DJGD	
N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)Nc1ccccc1	16411108	UKTGVQFAYJNUAZ-PKNBQFBNSA-N	317.175	4.539	50	20	DJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3cccc(C)c3C)c[nH]c2c1	731159792	VYHVILYQVKEKLT-YVLHZVERSA-N	314.388	4.883	50	20	DJGD	
Cc1coc2ccc(NC(=O)NNc3ccccc3Cl)cc12	776085214	IAUGCXRGJSFQDD-UHFFFAOYSA-N	315.760	4.543	50	20	DJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(C)o2)cc1	7167562	OAQZMKVIRJKUML-XDUBLRSXSA-N	308.381	4.647	50	20	DJGD	
N#C/C(=C\c1cccc(-c2cccnc2)c1)c1nc2ccccc2[nH]1	178350617	ZQWFTDGDTFMISK-LDADJPATSA-N	322.371	4.689	50	20	DJGD	
N#C/C(=C/c1cc2ccccc2o1)C(=O)Nc1ccccc1Cl	192538761	AISBBAUQJZTKTD-RAXLEYEMSA-N	322.751	4.632	50	20	DJGD	
N#C/C(=C\c1coc2ccccc12)C(=O)c1cc(F)cc(F)c1	194541238	YZYCFNOSKKGSAO-LFYBBSHMSA-N	309.271	4.501	50	20	DJGD	
N#C/C(=C/c1csc2ccccc12)C(=O)Nc1ccccc1F	255396300	GCQCRLBJTCYUSF-XFXZXTDPSA-N	322.364	4.586	50	20	DJGD	
N#C/C(=C\c1ccc(F)cc1Cl)C(=O)c1c[nH]c2ccccc12	767717354	LNJDLBGIPNBGSD-KPKJPENVSA-N	324.742	4.750	50	20	DJGD	
N#C/C(=C\c1cc2cc(F)ccc2o1)C(=O)c1cccc(F)c1	772172952	WWGNKRNVWMPXSY-UKTHLTGXSA-N	309.271	4.501	50	20	DJGD	
CCc1cccc(C)c1NNC(=O)c1ccc2sccc2c1	799756991	PKWBQOWZYSKLJX-UHFFFAOYSA-N	310.422	4.529	50	20	DJGD	
Fc1ccccc1-c1nnc(CCCC[C@H]2CCSS2)o1	1327873146	MKTRIOIPNDBNRR-NSHDSACASA-N	324.446	4.742	50	20	DJGD	
N#C/C(=C\c1cc2ccccc2o1)C(=O)Nc1ccccc1Cl	11288393	AISBBAUQJZTKTD-JLHYYAGUSA-N	322.751	4.632	50	20	DJGD	
C[C@@H]1OCC[C@@H]1Nc1cccc(S(F)(F)(F)(F)F)c1	184034931	PRYVQQNRHLEIAV-KWQFWETISA-N	303.296	4.933	50	20	DJGD	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(Cl)c(C(F)(F)F)c1	727264102	MTDBAUGMMKMGER-UXBLZVDNSA-N	315.722	4.881	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C\c3cc4cc(F)ccc4o3)[nH]c12	741840812	FFQHBCYPRUCQKL-LCYFTJDESA-N	317.323	4.821	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cccc(C)c1OC(F)F	777918972	OTIRKVRNDYGENJ-RLIURORJSA-N	307.340	4.509	50	20	DJGD	
N#C/C(=C\c1ccc(C(F)F)cc1)C(=O)c1c[nH]c2ccccc12	794870644	XIIOJSLVMIRVKO-NTEUORMPSA-N	322.314	4.895	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cnc(C3CCC3)s2)cc1C	809145700	DDNFVVSWPIZGBY-SXGWCWSVSA-N	322.433	4.817	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cscc1C(F)(F)F	811691086	JHITYSDWOCDWCS-JRZFIGEHSA-N	301.333	4.679	50	20	DJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2ccc(F)c(F)c2F)s1	853002602	PYGHGVRGTTZTOY-UXBLZVDNSA-N	322.355	4.922	50	20	DJGD	
CN(N=Cc1sc2ccccc2c1Cl)C(=O)OC(C)(C)C	920381725	YEQGLIVBMHMUBH-UHFFFAOYSA-N	324.833	4.756	50	20	DJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1cccc(-c2cccnc2)c1	1324056437	ADTGYSMBOUEYLK-MOSHPQCFSA-N	324.383	4.847	50	20	DJGD	
CC(C)Sc1ccccc1C(=O)NNc1ccccc1Cl	120760706	INLCWCAMLZNDBL-UHFFFAOYSA-N	320.845	4.597	50	20	DJGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc2ccccc2s1	123343569	WBSDTROPQRRUFO-RVDMUPIBSA-N	318.401	4.755	50	20	DJGD	
Cc1ccc(-c2nc(/C=C(/C#N)C(=O)C3CCCCC3)co2)cc1	130186936	YFSBXKDAAHPQKM-BOPFTXTBSA-N	320.392	4.706	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc2cc(OC)ccc2c1	741470578	RUIAQCJARAJVKL-DZBQEORWSA-N	307.393	4.761	50	20	DJGD	
N#C/C(=C/c1cccc(-c2ccccn2)c1)C(=O)C1CCCCC1	747699707	VTSQFTAQROEVRD-RGEXLXHISA-N	316.404	4.805	50	20	DJGD	
CCC(CC)(C(=O)NNc1ccccc1)c1ccc(Cl)cc1	747988244	AQKHTHFSQSRLOP-UHFFFAOYSA-N	316.832	4.541	50	20	DJGD	
C[C@@H]1CCN(C(=O)CCCC[C@@H]2CCSS2)CC1(C)C	759307539	KLPGIMZTWXGDKR-ZIAGYGMSSA-N	315.548	4.595	50	20	DJGD	
Cc1ccc(-c2csc(/C(C#N)=C/c3cncs3)n2)cc1	767720597	FRXRGJIDBNNIOP-AWNIVKPZSA-N	309.419	4.639	50	20	DJGD	
N#C/C(=C\c1scnc1C1CC1)C(=O)c1cc2ccccc2o1	782307233	UVYLONUXUOVKJB-MDWZMJQESA-N	320.373	4.557	50	20	DJGD	
CC(C)c1ccsc1C(=O)NNc1cccc2c1CCCC2	120057042	BIYYBGMREGHFNE-UHFFFAOYSA-N	314.454	4.507	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C/C(C)=C\c1ccccc1COC	814189984	MGXSSFLVJTZGJA-DARJFKRNSA-N	311.425	4.692	50	20	DJGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccccc1OC1CCCC1	63277584	NPTHYHDUWXABHO-VBKFSLOCSA-N	321.376	4.699	50	20	DJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(-c2ccc(F)cc2C)o1	734304856	YOAOTOBEVMUSJA-HLVNSREUSA-N	311.356	4.916	50	20	DJGD	
CN(CCC#N)Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	792870729	JTIAUOLTSKRTGG-UHFFFAOYSA-N	318.537	4.554	50	20	DJGD	
CCc1nnc(/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)o1	1117197493	LXMGQRGFAXADKM-LFIBNONCSA-N	324.428	4.620	50	20	DJGD	
CCCC[C@@H](C)N(C)C(=O)CCCC[C@@H]1CCSS1	811958786	HNTOJRDUHQMNSD-ZIAGYGMSSA-N	303.537	4.738	50	20	DJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1ncc(C(C)(C)C)s1	1321159610	SACQQCSFJYZJLW-UKTHLTGXSA-N	310.422	4.539	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cc(C)n(C3CC3)c2C)c1C	727827391	BYAJDUFNJORVBQ-WQRHYEAKSA-N	318.420	4.847	50	20	DJGD	
N#C/C(=C/c1cc(F)c(F)c(F)c1)c1ccc2ccccc2n1	727974378	JPAZNJVVOIMMTN-QPEQYQDCSA-N	310.278	4.716	50	20	DJGD	
N#C/C(=C\c1ccc(C(F)F)cc1)c1nc(-c2ccccc2)no1	794874221	XKNBVTBLNZUJAU-XNTDXEJSSA-N	323.302	4.738	50	20	DJGD	
COc1ccc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)cc1C	797399124	OMIJIFHPGFFOHB-NTEUORMPSA-N	312.438	4.822	50	20	DJGD	
CC(CCc1ccccc1)=NNC(=O)c1ccc2ccccc2c1	917547321	PZFZOKIUOXUROE-UHFFFAOYSA-N	316.404	4.578	50	20	DJGD	
O=C(NNc1ccccc1C(F)(F)F)C1CCCCCCC1	741507063	KFJYHCNIGIDICQ-UHFFFAOYSA-N	314.351	4.509	50	20	DJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3ccc(F)cc3C)n2)cc1	750892487	HNEMGJWMYWYAIC-YBEGLDIGSA-N	319.339	4.557	50	20	DJGD	
Cc1cc(C)cc(-c2ccc(/C=C(\C#N)c3ccncn3)cc2)c1	758913855	SQXXRHSKWDEIJM-UDWIEESQSA-N	311.388	4.825	50	20	DJGD	
N#C/C(=C\c1ccc(C(F)(F)F)s1)c1ccc([N+](=O)[O-])cc1	761473859	HZGRNYMQWHTHKU-JXMROGBWSA-N	324.283	4.739	50	20	DJGD	
COc1ccsc1/C=C(\C#N)c1nc(-c2ccccc2)cs1	764413249	XRHIGQMUOXJFSC-UKTHLTGXSA-N	324.430	4.944	50	20	DJGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1csc2ccccc12	810197833	XPFDCRQGKJKHBH-SRRLQIGMSA-N	324.449	4.503	50	20	DJGD	
CC(C)Sc1ccccc1C(=O)NNc1ccc(Cl)cc1	192746239	TYFBCKOBTQTNCQ-UHFFFAOYSA-N	320.845	4.597	50	20	DJGD	
Cn1c(/C(C#N)=C\c2csc3ccccc23)nc2ccccc21	255776798	SZESVKAYLLNNGK-RAXLEYEMSA-N	315.401	4.852	50	20	DJGD	
O=C(CCl)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12	19725151	JDFSKBCDFHOQHE-UHFFFAOYSA-N	304.176	4.910	50	20	DJGD	
CC/C(=C\C(=O)NNc1cccc(Cl)c1)c1ccc(C)cc1	741665719	VOBOBFAICLYXKH-SDNWHVSQSA-N	314.816	4.585	50	20	DJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2C2CC2)c1C	750818090	PLDLFNRRFATGKB-LDADJPATSA-N	316.404	4.727	50	20	DJGD	
C[C@H](CCC(=O)NNc1c(F)cccc1Cl)c1ccccc1	770197776	QAPKBFUIHIKBMY-GFCCVEGCSA-N	320.795	4.506	50	20	DJGD	
CC(C)(C)c1ccc(C(=O)NNc2ccccc2F)cc1Cl	810680551	SQBXWCKTCSWITC-UHFFFAOYSA-N	320.795	4.534	50	20	DJGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1ccc(CSC(F)F)o1	918733886	YAYRUVBHNYVOIR-POHAHGRESA-N	313.369	4.648	50	20	DJGD	
Cc1ccc(C#N)cc1NC(=O)CCCC[C@H]1CCSS1	64070553	XGTVOQUIDGBMOI-AWEZNQCLSA-N	320.483	4.519	50	20	DJGD	
CC(C)C[C@@H]1CCCN1C(=O)CCCC[C@H]1CCSS1	128617597	JNMQPQLBCBMWBE-GJZGRUSLSA-N	315.548	4.738	50	20	DJGD	
CCc1cccc2c(/C=C(\C#N)c3cnc4ccccc4n3)c[nH]c12	191359146	CRYWQXPAYXJHQX-XNTDXEJSSA-N	324.387	4.738	50	20	DJGD	
CC(CCC1CCCCC1)=NNC(=O)c1cccc(Cl)c1	731925164	ZHNUNDYTPFRIHV-UHFFFAOYSA-N	306.837	4.806	50	20	DJGD	
N#C/C(=C\c1cc2ccccc2o1)C(=O)c1ccc2ncccc2c1	794885638	UTQBODFKMPWZEX-SFQUDFHCSA-N	324.339	4.771	50	20	DJGD	
N#C/C(=C/c1cccc(Cl)c1)C(=O)c1ccc2ncccc2c1	794886105	ZOZCOPUVMUHONG-SXGWCWSVSA-N	318.763	4.678	50	20	DJGD	
Cc1ccc(CNC(=O)CCCC[C@H]2CCSS2)c(C)c1	914437351	IEVMEBOUTKKDQJ-INIZCTEOSA-N	323.527	4.634	50	20	DJGD	
N#C/C(=C/c1cc(C(F)(F)F)ccc1Cl)c1ccccn1	152131271	TUDSVLVCUZHBAN-XFFZJAGNSA-N	308.690	4.818	50	20	DJGD	
Cc1ccc(/C=C(/C#N)c2nc(C)cs2)c(Br)c1	254931354	JTHXNOHVJCUUCN-SDQBBNPISA-N	319.227	4.587	50	20	DJGD	
N#C/C(=C/c1sccc1Cl)C(=O)c1cc2ccccc2o1	588600743	LHHYTZJDXHQOGC-FLIBITNWSA-N	313.765	4.938	50	20	DJGD	
Cc1cc(/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1F	729149714	KTODSJAWOBEWRJ-GDNBJRDFSA-N	318.351	4.714	50	20	DJGD	
Cc1cc(/C(C#N)=C/c2cc(Cl)ccc2F)ccc1[N+](=O)[O-]	774557995	HNFCGOACGMTDDR-NTUHNPAUSA-N	316.719	4.760	50	20	DJGD	
Cc1cccc(/C=C(\C#N)c2nc(C)c(C)s2)c1OC(F)F	777917536	BTLHLEGHUPLVRK-NTUHNPAUSA-N	320.364	4.734	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(SC(F)F)cc1	794873133	BLFPRVSUVIFPQD-XFXZXTDPSA-N	309.381	4.914	50	20	DJGD	
N#C/C(=C\c1cc(-c2ccccc2)cs1)C(=O)c1ccoc1	798230327	PGWKGXAWPVNMLC-OVCLIPMQSA-N	305.358	4.798	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc2occc2s1	812767312	WUZLXRPGUAOOPM-UHFFFAOYSA-N	314.410	4.683	50	20	DJGD	
O=C(NN=C1CC[C@@H]2CCCC[C@H]2C1)c1ccc2ccccc2c1	917547573	VXNBFSVQJOROPB-WMZOPIPTSA-N	320.436	4.916	50	20	DJGD	
N#C/C(=C\c1cccc(F)c1)C(=O)c1cc(Cl)cc(Cl)c1	921138405	JIFJHFYHLZTDTQ-UUILKARUSA-N	320.150	4.922	50	20	DJGD	
CCc1ccccc1CNC(=O)CCCC[C@H]1CCSS1	740842175	PAGLNUHMBWPZAS-INIZCTEOSA-N	323.527	4.579	50	20	DJGD	
CCc1cccc(C)c1NNC(=O)[C@@H](C)c1ccc(Cl)s1	799758646	VHUNYXODDBVINY-NSHDSACASA-N	322.861	4.519	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H](C)C1CCC1	839235447	HXCIEZVHCJNFMS-GFCCVEGCSA-N	316.470	4.759	50	20	DJGD	
CCOc1cccc(F)c1/C=C(/C#N)c1nc(C2CC2)cs1	871599862	XVKJCESPKFWDGW-WQLSENKSSA-N	314.385	4.622	50	20	DJGD	
CC(C)CC(=O)NN=Cc1ccc(-c2ccccc2Cl)s1	874083720	POPMJEUTCMXZNL-UHFFFAOYSA-N	320.845	4.565	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccc(C(F)(F)F)cc1	915990648	SDIQVVYSZNPKRT-WQLSENKSSA-N	321.323	4.865	50	20	DJGD	
CC1CCC(CNC(=O)CCCC[C@@H]2CCSS2)CC1	919829739	WBSHPDKTSXXVHL-YMAMQOFZSA-N	315.548	4.643	50	20	DJGD	
Cc1cccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(C)ccc23)c1	920067819	CGGVFVZAMOZPLB-MHWRWJLKSA-N	300.361	4.575	50	20	DJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2cccc(C(F)(F)F)c2)cc1	780372747	BASQIIBZTOLJRD-DHDCSXOGSA-N	315.294	4.804	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1cc(C)c2ncccc2c1	783706772	DQZQHOTYVIZKLV-MHWRWJLKSA-N	318.401	4.703	50	20	DJGD	
Cc1cc(/C=C(/C#N)C(=O)CC(C)(C)C)cc(C)c1OC(F)F	918714404	UVVRGNXXPMWICA-ZSOIEALJSA-N	321.367	4.817	50	20	DJGD	
N#C/C(=C/c1ccc(C#N)s1)c1nc(-c2ccccc2)cs1	255181085	ATFKHEWPDZKSKF-JYRVWZFOSA-N	319.414	4.807	50	20	DJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(-c2c(F)cccc2F)o1	734368920	ZQGDCXGIWSGRKS-LWMMSDEHSA-N	315.319	4.747	50	20	DJGD	
CC(C)(C)c1ccc(NNC(=O)c2cc3occc3s2)cc1	780805780	AAIFUKXNMAMUTC-UHFFFAOYSA-N	314.410	4.549	50	20	DJGD	
CC(C)c1ccccc1NC(=O)[C@@H](Br)C(C)(C)C	781068636	OHEYBJLINDDGIE-CYBMUJFWSA-N	312.251	4.558	50	20	DJGD	
Cc1cc(/C=C(\C#N)C(=O)c2ccc(Cl)s2)cnc1Cl	783687280	HMTBCWXCKIMVJZ-BJMVGYQFSA-N	323.204	4.548	50	20	DJGD	
C[C@@H]1Cc2ccccc2N1C(=O)CCCC[C@@H]1CCSS1	913189101	YSHJEEOVRWBNAX-UKRRQHHQSA-N	321.511	4.678	50	20	DJGD	
ClCCn1cc(/C=C/c2nc3cc(Cl)ccc3s2)cn1	728700709	UOVOYKKOBOSWQN-DAFODLJHSA-N	324.236	4.555	50	20	DJGD	
N#C/C(=C\c1cc2cc(F)ccc2o1)C(=O)c1ccccc1F	741848442	LVAHFPGKJFIHJJ-FMIVXFBMSA-N	309.271	4.501	50	20	DJGD	
Cc1ccoc1/C=C(\C#N)C(=O)c1c(Cl)cccc1Cl	742349670	QZQUZEUOJHYFEA-JXMROGBWSA-N	306.148	4.685	50	20	DJGD	
C[C@@H](C(=O)NNc1ccccc1Cl)c1ccc2ccccc2c1	748330657	BQRKTKBFPWZVHP-CYBMUJFWSA-N	324.811	4.740	50	20	DJGD	
Cc1cc(/C=C(\C#N)c2ccc3ccccc3n2)cnc1Cl	760261766	GZWDNSJQFVTGDX-OQLLNIDSSA-N	305.768	4.656	50	20	DJGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2sccc2Cl)cc1	779753741	XIMSYPDXTKADLF-XFXZXTDPSA-N	316.813	4.510	50	20	DJGD	
Cc1cccc(F)c1NNC(=O)c1ccc(C2CCCC2)cc1	811139664	GARDDWUYHLAJQE-UHFFFAOYSA-N	312.388	4.549	50	20	DJGD	
N#C/C(=C/c1ccccc1C#N)C(=O)c1cc2ccccc2s1	788361821	FROYEVQJCYZAPD-SXGWCWSVSA-N	314.369	4.563	50	20	DJGD	
Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)c3ccoc3)o2)cc1	806557663	WEOPOIMMFDIEHX-YBEGLDIGSA-N	303.317	4.638	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C\c1csc(C(F)(F)F)c1	863183798	BRKBORNGIJBMIQ-WZUFQYTHSA-N	301.333	4.679	50	20	DJGD	
O=C(Nc1ccccc1S[C@@H](Cl)C(F)(F)F)C1CCC1	73825436	CLJQBRDAISKJTO-GFCCVEGCSA-N	323.767	4.645	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/c1coc(-c2ccc(C)cc2)n1	175326062	GMHGGOWGYJFZDO-MHWRWJLKSA-N	308.381	4.562	50	20	DJGD	
Cc1csc(/C(C#N)=C\c2cccc(-c3cccnc3)c2)n1	255719220	AOMMKCIMCGPMIH-MFOYZWKCSA-N	303.390	4.578	50	20	DJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cc3cc(F)ccc3o2)c1	741842698	GVDUGGVMEDTXMO-YBEGLDIGSA-N	319.335	4.979	50	20	DJGD	
C/C(=C/C(=O)NNc1cc(C)ccc1C)c1cccc(Cl)c1	748426597	CCDNRLZFKBRERH-UVTDQMKNSA-N	314.816	4.503	50	20	DJGD	
CCc1oc2ccccc2c1/C=C(/C#N)c1cc(SC)ncn1	773175541	FRRAPGHFZRGQHC-WQLSENKSSA-N	321.405	4.571	50	20	DJGD	
Cc1c(C(=O)/C=C/c2cccc(CCl)c2)cnn1C(C)(C)C	799892040	JYBYNWYHNGRTNN-CMDGGOBGSA-N	316.832	4.581	50	20	DJGD	
CCCCCC(C)=NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	818259547	HSDDHVIPXUDKEA-GFCCVEGCSA-N	306.475	4.559	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cnc(C3CCC3)s2)s1	760209809	GYDZBFGNYXDPIF-GHXNOFRVSA-N	314.435	4.570	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1c(F)cccc1Br	794873744	GWOXZMMVQCRKQJ-CSKARUKUSA-N	324.193	4.500	50	20	DJGD	
N#C/C(=C\c1ccccc1F)C(=O)c1cc(Cl)cc(Cl)c1	921138698	ZBXOPSMMAIYXAZ-LFYBBSHMSA-N	320.150	4.922	50	20	DJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2sccc2C)c1C	7210189	IGNQLAIFUSVAGG-XNTDXEJSSA-N	312.438	4.675	50	20	DJGD	
CCc1oc2ccccc2c1/C=C(\C#N)C(=O)c1ccoc1C	8200001	NXQVNLKPQTUFQA-JLHYYAGUSA-N	305.333	4.687	50	20	DJGD	
N#C/C(=C/c1ccc(Cl)cc1Br)c1ccccn1	255342217	PGWVJNSKDACDRH-XFFZJAGNSA-N	319.589	4.562	50	20	DJGD	
N#C/C(=C/c1ccc(C(F)(F)F)s1)c1ccc([N+](=O)[O-])cc1	761473862	HZGRNYMQWHTHKU-YFHOEESVSA-N	324.283	4.739	50	20	DJGD	
CCOc1ccccc1/C=C(\C#N)c1ncc(C(C)(C)C)s1	797399813	WLFOSGZFKHEGOP-GXDHUFHOSA-N	312.438	4.903	50	20	DJGD	
CC(=C/c1ccccc1)/C=C(/C#N)C(=O)c1c[nH]c2ccccc12	104751972	CHZOZLSMILRDGP-OZFCMSLCSA-N	312.372	4.904	50	20	DJGD	
N#C/C(=C\c1sccc1Cl)C(=O)c1cc2ccccc2o1	195226596	LHHYTZJDXHQOGC-DHZHZOJOSA-N	313.765	4.938	50	20	DJGD	
N#C/C(=C\c1cccc(OC(F)F)c1)c1ccc2ccccc2n1	747063445	KUTPKWABMRBMNT-XNTDXEJSSA-N	322.314	4.900	50	20	DJGD	
COCc1ccc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)o1	764413300	ZVNUSUHTXAEWDA-NTEUORMPSA-N	322.389	4.614	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/C=C/c2ccc(F)c(F)c2)cc1	794712815	PAKIRSGNAKIINO-PCSFBJKQSA-N	309.315	4.619	50	20	DJGD	
N#C/C(=C\c1ccc(C(F)F)cc1)c1ccc([N+](=O)[O-])cc1	794926038	HSMJQHHYYGLYGM-NTEUORMPSA-N	300.264	4.597	50	20	DJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2ccc(C#N)cc2F)s1	797399089	OCSAOMYVYVYOKZ-NTUHNPAUSA-N	311.385	4.516	50	20	DJGD	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1ccoc1	798229374	ABKRPDCBGWUMJD-ZROIWOOFSA-N	323.735	4.983	50	20	DJGD	
N#C/C(=C\c1ccc2c(c1)CCC2)C(=O)c1cc2ccccc2o1	1318724183	JXUCUEUSQXUEFD-WOJGMQOQSA-N	313.356	4.711	50	20	DJGD	
C[C@@H](NC(=O)CCCC[C@H]1CCSS1)C1CCCCC1	741707479	GROGKOYAFBCCEZ-HIFRSBDPSA-N	315.548	4.786	50	20	DJGD	
C/C(=C\C(=O)NNc1ccccc1Cl)c1cccc(Cl)c1	748331787	IVHYJFOLUBCRPG-PKNBQFBNSA-N	321.207	4.540	50	20	DJGD	
CCCCCOc1ccc(/C=C(\C#N)C(=O)c2ccoc2)cc1	798230315	PDKOQHFLRIJYDE-SFQUDFHCSA-N	309.365	4.638	50	20	DJGD	
N#C/C(=C\c1cscc1C(F)(F)F)c1nc2ccccc2[nH]1	811626314	FLHSKIWLHULFBV-WEVVVXLNSA-N	319.311	4.707	50	20	DJGD	
C[C@@H]1CCC[C@H](N(C)C(=O)CCCC[C@H]2CCSS2)C1	914498900	WXKUVHOZUOQTLP-ILXRZTDVSA-N	315.548	4.738	50	20	DJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cnc(-c2ccc(C)cc2)s1	734304719	UEOITXARAPOSCU-GULXKOIASA-N	310.422	4.641	50	20	DJGD	
CCC1(C)CCN(C(=O)CCCC[C@@H]2CCSS2)CC1	750767719	BOCFCIUEFJPTMM-CQSZACIVSA-N	315.548	4.739	50	20	DJGD	
Cc1cc(Cl)ccc1/C=C(\C#N)C(=O)c1sccc1C	767351851	LPMDHDPSKMCCOI-MDWZMJQESA-N	301.798	4.808	50	20	DJGD	
CSc1cc(/C(C#N)=C\c2ccc(-c3ccccc3)o2)ncn1	773176159	KGCIEEOSXMVPHD-ZROIWOOFSA-N	319.389	4.523	50	20	DJGD	
COc1c(Cl)cc(Cl)cc1/C=C(/C#N)C(=O)C1CCCC1	781553721	WMQJHYDSXUGPTC-SDQBBNPISA-N	324.207	4.668	50	20	DJGD	
N#C/C(=C\c1ccc(-c2cccs2)cc1F)C(=O)c1ccoc1	798229545	FDWWJGIMUXADRL-OVCLIPMQSA-N	323.348	4.937	50	20	DJGD	
Cc1ccc2cc(/C=C(\C#N)C(=O)CC(C)C)c(Cl)nc2c1	1318152811	HCVRLGCWDGTDFE-OQLLNIDSSA-N	312.800	4.719	50	20	DJGD	
Cc1cccc(NNC(=O)c2ccccc2Oc2ccccc2)c1	72514547	YOZFVAOPXABJIO-UHFFFAOYSA-N	318.376	4.544	50	20	DJGD	
N#C/C(=C/c1cccc(Cl)c1)C(=O)c1c[nH]c2ccccc12	210426665	GQUCEQDOIQWXTC-JYRVWZFOSA-N	306.752	4.611	50	20	DJGD	
N#C/C(=C/c1ccc(Cl)c(Br)c1)c1ccccn1	588384599	NKVKEYZYVRPPHW-XFFZJAGNSA-N	319.589	4.562	50	20	DJGD	
CCCC(=NNC(=O)c1cccc(Cl)c1)C1CCCCC1	727777643	UGJBONYLPYIHOB-UHFFFAOYSA-N	306.837	4.806	50	20	DJGD	
CC(C)C(=O)/C(C#N)=C/c1ccc(N(C)Cc2cccs2)cc1	834417385	MYAOJZLUECZXPY-LFIBNONCSA-N	324.449	4.517	50	20	DJGD	
Cc1ccc(/C=C(/C#N)c2ccc3ccccc3n2)cc1[N+](=O)[O-]	917145208	VHXFZZXKQJGWEJ-YBEGLDIGSA-N	315.332	4.516	50	20	DJGD	
OCCCCCNCc1cccc(S(F)(F)(F)(F)F)c1	922079621	QRARTZJVYMVDMY-UHFFFAOYSA-N	319.339	4.596	50	20	DJGD	
N#C/C(=C\c1ccsc1)C(=O)c1c(Cl)cccc1Cl	44028244	LDKCEFKESIYRSI-UXBLZVDNSA-N	308.189	4.845	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(OCC3CC3)cc2)cc1	790099455	GNTZCTUNHRDCFC-XDHOZWIPSA-N	317.388	4.574	50	20	DJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2ccc(F)c(F)c2)s1	797397966	CPNCONBKPBLSMA-IZZDOVSWSA-N	304.365	4.783	50	20	DJGD	
CC(C)C(=O)/C(C#N)=C\c1csc(-c2ccc(Cl)cc2)n1	915990530	NUWNGUJRDGPSBX-GHXNOFRVSA-N	316.813	4.596	50	20	DJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2ccc3ncccc3c2)c1	918714531	ZASDPNAJAFTFIT-UNOMPAQXSA-N	312.372	4.642	50	20	DJGD	
Cc1ccccc1NNC(=O)c1ccccc1Oc1ccccc1	192736478	UEFZSNQXGCULQM-UHFFFAOYSA-N	318.376	4.544	50	20	DJGD	
Cc1ccc(C)c(NNC(=O)c2oc3c(C)ccc(C)c3c2C)c1	748419344	TVJXNYHEIYMYHK-UHFFFAOYSA-N	322.408	4.732	50	20	DJGD	
Cc1cc(/C(C#N)=C\c2ccc3ncccc3c2)ccc1[N+](=O)[O-]	774560471	YNTIDNOQIWITEM-BOPFTXTBSA-N	315.332	4.516	50	20	DJGD	
C[C@H]1OCC[C@H]1Nc1cccc(S(F)(F)(F)(F)F)c1	184034873	PRYVQQNRHLEIAV-LDYMZIIASA-N	303.296	4.933	50	20	DJGD	
Cc1ccc(/C=C(\C#N)c2cnc3ccccc3n2)cc1Cl	194162241	TWDGUQRBRVNLML-RIYZIHGNSA-N	305.768	4.656	50	20	DJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2cccc(COC)c2)cc1	742349618	HUTGJXQWSLMDRW-MOSHPQCFSA-N	319.404	4.575	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cccc(Cl)c1F	812767036	BHFLDLBQZUXFSL-UHFFFAOYSA-N	320.795	4.668	50	20	DJGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1ccccc1OC1CCCC1	920068429	SPMKDTASXCTLJI-VBKFSLOCSA-N	311.425	4.920	50	20	DJGD	
N#CC(C#N)=Cc1ccc(-c2cccc(Br)c2)s1	45871771	DWOJMHHIEBYXNJ-UHFFFAOYSA-N	315.195	4.608	50	20	DJGD	
CCCOc1ccc(/C=C(/C#N)C(=O)c2cccc(C)c2C)cc1	727654784	KULQZNHJXLAKKN-AQTBWJFISA-N	319.404	4.882	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(F)c(C(F)(F)F)c1	755601242	NCRVCJYTNXIILO-BZPKPHBRSA-N	313.294	4.757	50	20	DJGD	
CC(=C/c1ccccc1)/C=C(\C#N)c1ccc([N+](=O)[O-])c(C)c1	774559472	SLWHFBQRYNSTAI-FJYMYNMMSA-N	304.349	4.914	50	20	DJGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccsc2Cl)cc1	790101276	KUYTYGRMVPQORJ-UKTHLTGXSA-N	316.813	4.510	50	20	DJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2cc(F)c(F)c(F)c2)s1	797398240	FNHJYFGDSSJJTD-ONNFQVAWSA-N	322.355	4.922	50	20	DJGD	
CC(C)(C)c1ccc(C(=O)NNc2cccc(F)c2)cc1Cl	810682166	UZMCZIQCUMSWGB-UHFFFAOYSA-N	320.795	4.534	50	20	DJGD	
CCc1ccc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)s1	812248187	GKRBIOHYLHAPMH-YFHOEESVSA-N	308.328	4.788	50	20	DJGD	
Cn1c(/C(C#N)=C\c2ccc3ccccc3c2)nc2ccccc21	33471259	HKVXLZRISYWXSD-AQTBWJFISA-N	309.372	4.791	50	20	DJGD	
CC(C)c1ncc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)s1	123399467	KQQXCJWSNPKTDR-GHXNOFRVSA-N	321.405	4.538	50	20	DJGD	
C/C(=C\C(=O)NNc1cccc(Cl)c1)c1ccccc1Cl	727369377	LZHNEFGBMCCOFG-PKNBQFBNSA-N	321.207	4.540	50	20	DJGD	
COc1cc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)ccc1C	797399222	QGRMHSXIFGJJKA-ZSOIEALJSA-N	312.438	4.822	50	20	DJGD	
COCc1ccccc1/C=C(C)/C=C(/C#N)c1nc(C)c(C)s1	814188563	NWDHDSSDBXGGMY-LDFNIPPCSA-N	324.449	4.917	50	20	DJGD	
CC(C)n1cncc1/C=C(\C#N)C(=O)c1ccc(C(C)(C)C)cc1	901437834	VNJHXKNAJQSINF-MHWRWJLKSA-N	321.424	4.551	50	20	DJGD	
CC1(NC(=O)CCCC[C@H]2CCSS2)CCCCC1	918685628	MPCXKOLFUVHEER-ZDUSSCGKSA-N	301.521	4.540	50	20	DJGD	
CCc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1	6410945	IUJSGALWOJPXIH-LFIBNONCSA-N	324.811	4.757	50	20	DJGD	
Cc1ccc(-c2ncc(/C=C(/C#N)c3ccccn3)s2)cc1	114990918	QXGVUGOHVNXLPT-GDNBJRDFSA-N	303.390	4.578	50	20	DJGD	
Cc1cccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(F)ccc23)c1C	731157178	TYEAKJJRXUNLMV-NVNXTCNLSA-N	318.351	4.714	50	20	DJGD	
N#C/C(=C\c1ccc(F)c(Cl)c1Cl)C(=O)c1ccccc1	761374646	BTLYJMYMSXMNOV-XYOKQWHBSA-N	320.150	4.922	50	20	DJGD	
Cc1ccc2[nH]c(C(=O)NNc3ccc(C(C)(C)C)cc3)cc2c1	780803925	RXBRAGMLDMNPOF-UHFFFAOYSA-N	321.424	4.531	50	20	DJGD	
CCc1ccc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)cc1	812246393	KLNNTBMGQVSCFI-ZROIWOOFSA-N	302.299	4.727	50	20	DJGD	
COc1cc(F)cc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)c1	834441512	LNOMFXLWEJBRTG-XGICHPGQSA-N	316.401	4.652	50	20	DJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cc2ccc(C)cc2nc1Cl	1318174012	QOUDRFQVLRLPRH-CDCQXCROSA-N	312.800	4.719	50	20	DJGD	
Cc1ccc(F)cc1NC(=O)CCCC[C@@H]1CCSS1	72777337	RTRZYMFMVLUXHO-CYBMUJFWSA-N	313.463	4.787	50	20	DJGD	
Cc1csc(/C(C#N)=C\c2cc(C)c(C)cc2OC(F)F)n1	255424836	NBHVXPZDKRBRSF-MLPAPPSSSA-N	320.364	4.734	50	20	DJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1ccccc1Cl)c1ccccc1	787141487	NZXVWAWFELPBEB-FXFXYLOPSA-N	324.811	4.514	50	20	DJGD	
Cc1cc(Cl)c(C(=O)NNc2ccc(C)c(Cl)c2)cc1C	1116520068	VPBNKIGFURNPTE-UHFFFAOYSA-N	323.223	4.676	50	20	DJGD	
N#C/C(=C/c1cccc(Cl)c1Cl)c1ccc([N+](=O)[O-])cc1	69008236	BEKDMOWKIFYUFH-WQLSENKSSA-N	319.147	4.966	50	20	DJGD	
COc1c(Cl)cc(Cl)cc1/C=C(/C#N)C(=O)CC(C)C	726118629	PFYZLXLFRWLTEF-WZUFQYTHSA-N	312.196	4.524	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(F)c(Cl)c2)s1	755404685	AIUDUNQVHGTYJR-IZZDOVSWSA-N	305.761	4.639	50	20	DJGD	
CCCCCCCOc1ccc(/C=C(/C#N)c2ccncn2)cc1	758912217	LTFOBZVBTSNUQY-JXAWBTAJSA-N	321.424	4.890	50	20	DJGD	
Cc1cc(C)c(C(=O)NNc2cc(Cl)ccc2Cl)c(C)c1	762003673	PSZRAQCULRELTH-UHFFFAOYSA-N	323.223	4.676	50	20	DJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2csc(C3CC3)n2)s1	797398618	JFWPQCLIIOUTJM-WDZFZDKYSA-N	315.467	4.839	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C1CC(C)(C)C1	808078708	VWPLTOOBPQTQFW-UHFFFAOYSA-N	316.470	4.759	50	20	DJGD	
CCc1ccc(/C=C(\C#N)c2nc(-c3ccncc3)cs2)s1	731159161	ONVXGCNVXYUFIP-UKTHLTGXSA-N	323.446	4.893	50	20	DJGD	
CCCC[C@@H]1CCCC1=NNC(=O)c1cccc2ccccc12	741465472	LZTIKGYXEOMNGN-MRXNPFEDSA-N	308.425	4.916	50	20	DJGD	
Cc1nc(/C(C#N)=C/C=C/c2ccc(F)cc2F)sc1C	758063574	XZBFTHNSHLNZBP-HJSZHNSDSA-N	302.349	4.659	50	20	DJGD	
C=CCOc1ccc(/C=C(\C#N)C(=O)C2CCCC2)cc1Cl	781553548	ATLZVUXGSBZFTO-XNTDXEJSSA-N	315.800	4.571	50	20	DJGD	
N#C/C(=C/C=C/c1ccc(F)cc1)c1cc(C(F)(F)F)ccn1	812249406	ZKPAXSYBLRBZPJ-LIPWGUAESA-N	318.273	4.860	50	20	DJGD	
CC(C)(C#N)CCN1CCC(CO[Si](C)(C)C(C)(C)C)CC1	844344754	HOAVAOWGFOMLDM-UHFFFAOYSA-N	324.585	4.660	50	20	DJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cscc2Cl)c(C)c1	771838922	DHOUPNCCMJLFIT-SDQBBNPISA-N	316.813	4.564	50	20	DJGD	
CCSc1cccc(/C=C(/C#N)c2cnc3ccccc3n2)c1	588581028	ZCMOSLPINNBZPH-GDNBJRDFSA-N	317.417	4.806	50	20	DJGD	
N#C/C(=C/c1ccsc1)C(=O)c1cccc(C(F)(F)F)c1	780373803	HJGCCJJFFUVJQK-SDQBBNPISA-N	307.296	4.557	50	20	DJGD	
Cc1cc(/C=C(/C#N)C(=O)C2CCCC2)c(OC(F)F)cc1C	781555810	PNMLCBUZAWGIPY-DHDCSXOGSA-N	319.351	4.571	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2nccc3ccccc23)cc1C	809145937	JZURJOHTNCCBOL-PDGQHHTCSA-N	312.372	4.642	50	20	DJGD	
COc1cc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)ccc1F	1321571733	FUXDKJYKCKKMAU-KPKJPENVSA-N	316.401	4.652	50	20	DJGD	
Cc1ccc(-c2nnc(CCCC[C@@H]3CCSS3)o2)o1	1329083211	VCWXWQUIIBTNEU-LLVKDONJSA-N	310.444	4.505	50	20	DJGD	
Cc1nc(/C(C#N)=C\c2ccc3c(c2)CCC(C)(C)O3)sc1C	741472539	AXWTWTKSPFKRJF-YBEGLDIGSA-N	324.449	4.928	50	20	DJGD	
N#C/C(=C/c1cc2ccccc2s1)c1ccc([N+](=O)[O-])cc1	758423033	HAMRQCLEKSNAPT-UVTDQMKNSA-N	306.346	4.874	50	20	DJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(F)c(Cl)c1Cl	761386222	OKGXSAYALVSZPR-VSBFRKNKSA-N	300.160	4.655	50	20	DJGD	
Cc1nc(/C(C#N)=C/c2ccc(Cl)nc2Cl)sc1C	761481211	WLYYSEQYRMNJJY-BJMVGYQFSA-N	310.209	4.526	50	20	DJGD	
CSc1cc(/C(C#N)=C/c2cc(Cl)ccc2Cl)ncn1	773176062	IULRYHGOEKIUOS-ONNFQVAWSA-N	322.220	4.569	50	20	DJGD	
N#C/C(=C/c1cc(F)cc(Cl)c1)C(=O)c1c[nH]c2ccccc12	776722302	QAADUNHBYTXHSX-XGICHPGQSA-N	324.742	4.750	50	20	DJGD	
Cc1ccc(NNC(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)cc1	914604135	CLOCOJOGXXRWBF-UHFFFAOYSA-N	321.424	4.531	50	20	DJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3ccc(C)c(C)c3)c[nH]c2c1	920068930	UIYVHYYDOMHHJT-YVLHZVERSA-N	314.388	4.883	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C/c2ccc(N(C)C)c(F)c2)n1	747441224	ZCUGURNIQGJDNM-NTUHNPAUSA-N	315.417	4.536	50	20	DJGD	
N#C/C(=C/c1ccc(-c2ccccc2)o1)c1cnc2ccccc2n1	588580091	ATQXLAQAQZIJHR-VBKFSLOCSA-N	323.355	4.954	50	20	DJGD	
CCCC(=NNC(=O)c1cccc2ncccc12)C1CCCCC1	730146012	ZRBHBJVPANUQJG-UHFFFAOYSA-N	323.440	4.701	50	20	DJGD	
Cc1cc(C)c(/C=C(/C#N)c2nc(-c3ccccc3)no2)c(C)c1	916132147	VYIDFCJPDJZZPC-BOPFTXTBSA-N	315.376	4.726	50	20	DJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc([C@@H]2C[C@H]2C)o1	8117357	BKLILRBQXJYMLT-YLJPPSQVSA-N	320.392	4.566	50	20	DJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)o1	55040384	JCNQIDQBLLDJLH-IZZDOVSWSA-N	310.740	4.513	50	20	DJGD	
Cc1cccc(C)c1/C=C(/C#N)c1nc(-c2ccncc2)cs1	121096979	AOWLJRWPPOTPQE-YBEGLDIGSA-N	317.417	4.886	50	20	DJGD	
N#C/C(=C\c1csc(-c2ccsc2)n1)C(=O)c1ccccc1	214012933	MFRLYEZRIPYIFI-RIYZIHGNSA-N	322.414	4.661	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C\c3c(F)cccc3Cl)[nH]c12	735669310	DXQVJQFIUBCSGQ-FLIBITNWSA-N	311.747	4.728	50	20	DJGD	
Cc1cc(C)cc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)c1	783686917	BHJXYOXFXBTAOF-JYRVWZFOSA-N	301.798	4.808	50	20	DJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccsc1Cl	491100294	AMPQXQYQNAAJMV-MDWZMJQESA-N	316.813	4.564	50	20	DJGD	
O=C(NN=C1CC[C@@H]2CCCC[C@@H]2C1)c1cc2ccccc2o1	749823627	NGAUJFAULRUTEX-UONOGXRCSA-N	310.397	4.509	50	20	DJGD	
N#C/C(=C\c1ccccc1Cl)C(=O)c1ccc2ncccc2c1	794884822	MMWZQBPFPNJDGE-MHWRWJLKSA-N	318.763	4.678	50	20	DJGD	
N#C/C(=C/c1cc(Cl)cc(Cl)c1)c1ccc([N+](=O)[O-])cc1	917517326	ODVJZHISZZPQAS-XGICHPGQSA-N	319.147	4.966	50	20	DJGD	
N#C/C(=C/c1cccc(Cl)c1Cl)C(=O)Nc1ccccc1	208442250	OTEHCGKWXPYWBZ-XFXZXTDPSA-N	317.175	4.539	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc2c(c1)CCC(C)(C)O2	741470108	QHYBXHRGJVTRED-MTOJCTJASA-N	311.425	4.702	50	20	DJGD	
Cc1cc(F)ccc1/C=C(/C#N)C(=O)c1cc2ccccc2o1	750892845	KSPABARSCWPAFD-DHDCSXOGSA-N	305.308	4.670	50	20	DJGD	
N#C/C(=C/c1ccc(F)c(Cl)c1Cl)C(=O)c1ccccc1	761374636	BTLYJMYMSXMNOV-WQLSENKSSA-N	320.150	4.922	50	20	DJGD	
N#C/C(=C/c1c(F)cccc1Cl)C(=O)c1cc(F)cc(F)c1	772177383	VMICOLDQYQMGAW-POHAHGRESA-N	321.685	4.547	50	20	DJGD	
N#C/C(=C/c1ccc(Oc2ccccc2)o1)C(=O)c1ccsc1	588409995	YMDVPXBMLQCMFK-UVTDQMKNSA-N	321.357	4.923	50	20	DJGD	
CCn1c(C)cc(/C=C(\C#N)C(=O)c2cc(C)cc(C)c2)c1C	728286368	BTVNFHMIZPXWDT-YBFXNURJSA-N	306.409	4.532	50	20	DJGD	
N#C/C(=C\c1nc2c(s1)CCCC2)c1ccc2ccccc2n1	776264426	GKSNTZBRIIDJCR-SDNWHVSQSA-N	317.417	4.634	50	20	DJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2ccncc2Cl)s1	863191580	PKPXMYTYXAXLDE-WDZFZDKYSA-N	303.818	4.553	50	20	DJGD	
C[C@H]1C[C@@H](Nc2cccc(S(F)(F)(F)(F)F)c2)CO1	690186623	JMHBOMCSMFQQRW-WCBMZHEXSA-N	303.296	4.933	50	20	DJGD	
N#C/C(=C/C=C\c1ccc(F)cc1F)c1cnc2ccccc2n1	790227929	MBDCEESWYOVEHL-KHCPYNEOSA-N	319.314	4.528	50	20	DJGD	
CC/C(C)=C/C(=O)Nc1c(CC)cc(SC#N)cc1CC	839236860	XZZFFPVNDFAAQN-XYOKQWHBSA-N	302.443	4.679	50	20	DJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1ccc(OC(C)C)cc1	1317851173	ODMMNJUBFHVGQZ-SFQUDFHCSA-N	305.377	4.572	50	20	DJGD	
Cc1cccc(/C=C(/C#N)c2nc(-c3ccncc3)cs2)c1C	108658737	ZZZLVPORBAENJW-YVLHZVERSA-N	317.417	4.886	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C\c1cccc(OC2CCCC2)c1	726118486	NJTCGYBZQCXRSV-ATVHPVEESA-N	311.425	4.920	50	20	DJGD	
O=C(CCCC[C@H]1CCSS1)OCc1cccc(F)c1	786589767	GUHVKBTWDYEEQT-AWEZNQCLSA-N	314.447	4.583	50	20	DJGD	
CC(C)n1nccc1/C=C(/C#N)c1nc(-c2ccccc2)cs1	794874433	YTVQGRJJMUKISP-GDNBJRDFSA-N	320.421	4.652	50	20	DJGD	
N#C/C(=C/c1ccccc1OC(F)F)c1nc(C2CC2)cs1	864095880	KNIOZVRBIZBVNK-GHXNOFRVSA-N	318.348	4.686	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2ccc(OC(C)C)cc2)c1C	727655560	YCKVLQHMGHLOSY-PDGQHHTCSA-N	319.404	4.881	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(F)c(C(F)(F)F)c1	755601250	NCRVCJYTNXIILO-VPMLRQHESA-N	313.294	4.757	50	20	DJGD	
N#C/C(=C/c1csc(Cl)c1Cl)C(=O)Nc1ccccc1	761394883	XARFWUYWGIUKMD-TWGQIWQCSA-N	323.204	4.601	50	20	DJGD	
CC(C)n1nccc1/C=C(/C#N)C(=O)c1ccc(C(C)(C)C)cc1	794874074	XCBFDBUJUXHLKY-VBKFSLOCSA-N	321.424	4.551	50	20	DJGD	
CCCN(N=C1CC(c2ccc(C)cc2)C1)C(=O)OC(C)(C)C	794996825	LXZKOLMGJFIIBZ-UHFFFAOYSA-N	316.445	4.876	50	20	DJGD	
Cc1cscc1NC(=O)CCCC[C@@H]1CCSS1	154422550	KTFKKSJVEYGYJN-LLVKDONJSA-N	301.502	4.709	50	20	DJGD	
CC(=C/c1ccccc1)/C=C(\C#N)C(=O)Nc1cccc(C)c1C	211571201	CMEZYBGXEFACSU-WAZQMIMHSA-N	316.404	4.795	50	20	DJGD	
CCCN(N=C1CCC(CSC)CC1)C(=O)OC(C)(C)C	496021510	BDLGGCBXVDRMNS-UHFFFAOYSA-N	314.495	4.543	50	20	DJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cccc(OCc2ccccc2)c1	726427970	CAOUMFVJFBLBRK-QUYZQLMHSA-N	319.404	4.788	50	20	DJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1	726428185	GVSWDIHTGQZXCA-HUCUOGIVSA-N	319.404	4.788	50	20	DJGD	
CC1(C)CCc2cc(/C=C(\C#N)C(=O)c3ccccc3)ccc2O1	731563024	KRULPUDVEPVBNK-QGOAFFKASA-N	317.388	4.580	50	20	DJGD	
CC(C)C[C@H]1CCN(C(=O)CCCC[C@H]2CCSS2)C1	744639636	ZYJSYFNTSGDJNO-CABCVRRESA-N	315.548	4.595	50	20	DJGD	
Cc1nc(/C(C#N)=C\c2ccc(C(F)(F)F)s2)sc1C	761481134	VUVKGCMSVDWRDP-UITAMQMPSA-N	314.357	4.904	50	20	DJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2cc(C)oc2C)c1C	767877498	DSFPVCYMPVVYTD-LICLKQGHSA-N	310.397	4.515	50	20	DJGD	
CC12CC3(C)CC(C)(C1)CC(C(=O)NNc1ccccc1)(C2)C3	773454327	GPFLFAFQZZTEOW-UHFFFAOYSA-N	312.457	4.516	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C/C=C/c1ccc(F)c(F)c1	794696844	BNVJWJQCRCHFGC-JDVNWEJLSA-N	315.344	4.681	50	20	DJGD	
N#CC(C#N)=Cc1ccc(-c2ccccc2Br)cc1	800790477	MAAXLUOATFLGDW-UHFFFAOYSA-N	309.166	4.547	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1c(C)cc(F)cc1C	854578542	IWCWJCZNURJNSX-UHFFFAOYSA-N	314.404	4.631	50	20	DJGD	
N#C/C(=C\c1ccc(Br)cc1Cl)c1ccccn1	174052298	DQUNPBVBJDRHGV-YRNVUSSQSA-N	319.589	4.562	50	20	DJGD	
COc1ccccc1/C=C(/C#N)C(=O)c1ccc(C(C)(C)C)cc1	212145381	QKNBQFNXEDIDPU-LGMDPLHJSA-N	319.404	4.783	50	20	DJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(C)s2)c(Cl)c1	729820762	YCSCGWHNPGNNJP-KPKJPENVSA-N	317.797	4.508	50	20	DJGD	
Cc1cc(/C=C(\C#N)C(=O)CC(C)(C)C)ccc1Br	746393863	LJWYMSAFDYPGHX-MDWZMJQESA-N	320.230	4.670	50	20	DJGD	
O=C(CCCC[C@@H]1CCSS1)OCc1ccccc1F	786590691	WQGCWSMHDAMWMC-CYBMUJFWSA-N	314.447	4.583	50	20	DJGD	
CCCN(N=C[C@@H](CC)c1ccccc1)C(=O)OC(C)(C)C	814927617	XSQDJINNVCOPPU-OAHLLOKOSA-N	304.434	4.813	50	20	DJGD	
CC(C)(C)c1ccc(NNC(=O)c2cc(F)ccc2Cl)cc1	816018406	CSNOLBYFAGOIBF-UHFFFAOYSA-N	320.795	4.534	50	20	DJGD	
C=CCN(C)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	192259083	XYVYUUHEJVTARK-UHFFFAOYSA-N	316.295	4.994	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(-c2ccccc2F)o1	741470907	XAGVGOYJKQSCLX-MBFWDRTGSA-N	311.356	4.998	50	20	DJGD	
N#C/C(=C/c1cccc(F)c1)C(=O)c1cc(Cl)cc(Cl)c1	921138404	JIFJHFYHLZTDTQ-QCDXTXTGSA-N	320.150	4.922	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C/c2ccc(O[C@@H](C)C#N)cc2)n1	255443458	PTSBXYYPQKNKIP-LIOBOASVSA-N	323.421	4.622	50	20	DJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1cccc(CCl)c1	490977257	SUHMDSOTPKMSDV-YVLHZVERSA-N	324.811	4.588	50	20	DJGD	
C[C@H](C(=O)NNc1ccc(Cl)cc1)c1ccc2ccccc2c1	749276005	ANLRORIWFNIUFQ-ZDUSSCGKSA-N	324.811	4.740	50	20	DJGD	
N#C/C(=C\c1cc2ccccc2s1)C(=O)Nc1ccc(F)cc1	758416639	RQWFLBRPQPTTIE-JLHYYAGUSA-N	322.364	4.586	50	20	DJGD	
Cc1ccc(OC(F)F)c(/C=C(/C#N)C(=O)C2CCCCC2)c1	767715697	XNJXBMDQGOGBHQ-GDNBJRDFSA-N	319.351	4.653	50	20	DJGD	
O=C(CCCC[C@@H]1CCSS1)OCc1ccc(F)cc1	786590252	LUYMSHHYGRTZDX-CQSZACIVSA-N	314.447	4.583	50	20	DJGD	
N#C/C(=C/c1cscc1Br)C(=O)C1CCCCC1	794691436	OLTQJDITHKMZRU-WDZFZDKYSA-N	324.243	4.567	50	20	DJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3ccc(F)c(F)c3)c[nH]c2c1	63412979	FIUXOHJTPNXDAG-QPEQYQDCSA-N	322.314	4.544	50	20	DJGD	
BrCc1nc2cccc(-c3ccccc3)c2s1	98178156	RHDCGSICCSEYKT-UHFFFAOYSA-N	304.212	4.858	50	20	DJGD	
CC(C)C(=O)/C(C#N)=C\c1cc(Cl)ccc1OC1CCCC1	742432896	IXQHEVVNNCIMJH-ZROIWOOFSA-N	317.816	4.793	50	20	DJGD	
Cc1cc2cc(/C=C(\C#N)C(=O)c3ccsc3)oc2cc1C	749807840	PDGAYHDTWUTNJO-OVCLIPMQSA-N	307.374	4.901	50	20	DJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccccc1C1CC1	750817044	BJPCVAFDLJBOLZ-LDADJPATSA-N	316.404	4.727	50	20	DJGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccc(F)c(Cl)c1Cl	761390801	FTZZTKSHMFWROP-POHAHGRESA-N	324.138	4.824	50	20	DJGD	
CC(CCCC(F)(F)F)=NNC(=O)c1ccc2ccccc2c1	774372676	FBSSUJMLMNNYJT-UHFFFAOYSA-N	322.330	4.678	50	20	DJGD	
CCc1ccc(CNCc2ccc(OCCCCl)cc2)s1	811473942	RRHARZDEXAXSEP-UHFFFAOYSA-N	323.889	4.608	50	20	DJGD	
Cc1cccc(NC(=O)NN(c2ccccc2)c2ccccc2)c1	16500247	JPSSREMBBJSOHK-UHFFFAOYSA-N	317.392	4.870	50	20	DJGD	
Cc1cc(NC(=O)CCCC[C@@H]2CCSS2)ccc1F	303142310	DCSRPBQVJGNNNC-CYBMUJFWSA-N	313.463	4.787	50	20	DJGD	
Cc1nc(/C(C#N)=C/c2cnc(C(C)(C)C)s2)sc1C	741467060	JYSGKAPHODWMEP-IZZDOVSWSA-N	303.456	4.578	50	20	DJGD	
N#C/C(=C\c1cc(Cl)ccc1Cl)C(=O)c1ccccc1	753682601	GCHPMACRWHABIZ-MDWZMJQESA-N	302.160	4.783	50	20	DJGD	
C/C(=C\c1ccccc1Cl)C(=O)NNc1cc(C)ccc1C	756013532	XEGOTYUOSZXMNI-SDNWHVSQSA-N	314.816	4.503	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(Cl)nc2Cl)s1	761477721	PBCCQWBPMKSANC-POHAHGRESA-N	323.204	4.548	50	20	DJGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1ccc(F)cc1Br	767714358	OYDVFRVLJOBUGP-WDZFZDKYSA-N	324.193	4.500	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)CCCc1ccsc1	812767794	UGEZIKRBMPUJSC-UHFFFAOYSA-N	316.470	4.646	50	20	DJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	1317701294	IGSRTGVGUKZOGE-YBFXNURJSA-N	320.436	4.859	50	20	DJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1ccc(F)cc1F	7167010	IZOYYDSEBQDPQN-MDWZMJQESA-N	322.314	4.544	50	20	DJGD	
Cc1cc(/C=C(\C#N)c2nc3cc(F)ccc3s2)ccc1F	730150089	HBTPGWVGUNNUCB-KPKJPENVSA-N	312.344	4.947	50	20	DJGD	
N#C/C(=C\c1cc(Cl)ccc1F)C(=O)c1c[nH]c2ccccc12	753683832	XBPGIAHFEYAKIC-KPKJPENVSA-N	324.742	4.750	50	20	DJGD	
Cc1ccc(F)c(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)c1	812249198	XDDMJZBKOYPSHM-KPKJPENVSA-N	306.262	4.612	50	20	DJGD	
C[C@@H](N(C)C(=O)CCCC[C@H]1CCSS1)C(C)(C)C	914431485	BKSFYHPUIRBCOE-OLZOCXBDSA-N	303.537	4.594	50	20	DJGD	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)C(C)C)cc2)cc1	915990971	UKQDVTHWDHTTSB-XDHOZWIPSA-N	319.404	4.706	50	20	DJGD	
C[C@@H]1CCC[C@@H](C)C1NC(=O)CCCC[C@H]1CCSS1	736110815	GKAFTXVDSPIMRQ-MCIONIFRSA-N	315.548	4.641	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1csc(C)c1C	812770355	ONJLZCSRCDFZGY-UHFFFAOYSA-N	302.443	4.554	50	20	DJGD	
CC(C)(C)[Si](C)(C)OCCSc1nncc2ccccc12	840187620	CUHCHFMCJBAPKL-UHFFFAOYSA-N	320.534	4.744	50	20	DJGD	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)s1)c1ccncn1	758913949	FDBIMTLAXQISLX-LCYFTJDESA-N	323.808	4.923	50	20	DJGD	
Cc1cccc(C)c1/C=C(/C#N)c1cc(C(F)(F)F)ccn1	812248253	HZANVVVYOQTOLY-JYRVWZFOSA-N	302.299	4.781	50	20	DJGD	
N#C/C(=C\c1ccc(Cl)s1)C(=O)c1cc2ccccc2o1	834726001	MYBGOEOAXSQIBW-YRNVUSSQSA-N	313.765	4.938	50	20	DJGD	
Cc1ccc(NC(=O)/C(C#N)=C/C=C/c2ccc(F)cc2)c(C)c1	747697364	YHPVKTPIJJZXKC-GOZVUGRMSA-N	320.367	4.544	50	20	DJGD	
CC(C)C(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)cc1	764417151	MOEOQIRCHMJWSU-GZTJUZNOSA-N	323.367	4.537	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C1(F)CCCC1	776304353	VBGVBUROGWCYEQ-UHFFFAOYSA-N	320.433	4.605	50	20	DJGD	
COc1cccc(/C=C(/C#N)C(=O)c2cc3ccccc3s2)c1	788328475	OLOYNDYBLRFUCE-DHDCSXOGSA-N	319.385	4.700	50	20	DJGD	
CCCn1cccc1/C=C(\C#N)C(=O)c1cc2ccccc2s1	788328886	RIBCGAURLZMGFB-RVDMUPIBSA-N	320.417	4.903	50	20	DJGD	
O=C(NNc1c(F)cccc1Cl)c1ccc(C2CCC2)cc1	790909403	SFXXQSOKNRURSW-UHFFFAOYSA-N	318.779	4.504	50	20	DJGD	
CCCN(N=C1CCC(C(F)(F)F)CC1)C(=O)OC(C)(C)C	794997055	NHMJBNIWHZKCIP-UHFFFAOYSA-N	322.371	4.742	50	20	DJGD	
N#C/C(=C\c1ccc(-c2ccccc2F)o1)C(=O)c1ccccc1	8054218	YWESOQSKHRUFCO-NTCAYCPXSA-N	317.319	4.876	50	20	DJGD	
N#C/C(=C\c1ccccc1C1CC1)C(=O)c1c[nH]c2ccccc12	750818480	VDOAGKHLWRQKFQ-LFIBNONCSA-N	312.372	4.835	50	20	DJGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1ccc(F)c(C(F)(F)F)c1	755404962	DOPUAPYNZMUQHP-IZZDOVSWSA-N	313.294	4.757	50	20	DJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)c1	5130875	CPSXJICMGRIYNK-LDADJPATSA-N	304.393	4.664	50	20	DJGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(SC)cc2)cc1	6410820	AQKDZPYBYJMNSV-FOWTUZBSSA-N	322.433	4.517	50	20	DJGD	
CC(=C/c1ccccc1)/C=C(\C#N)C(=O)Nc1c(C)cccc1C	192547661	ZDQRZLXSNICVAL-WAZQMIMHSA-N	316.404	4.795	50	20	DJGD	
Cc1ccc(CNCc2ccc(OCCCCl)cc2)c(C)c1	811474438	JFBIEAADWMFANA-UHFFFAOYSA-N	317.860	4.601	50	20	DJGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1cscc1C(F)(F)F	811628466	YINBQUIKMRPFRU-RUDMXATFSA-N	301.333	4.679	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CC(C)(C)C	175637108	STNZXWVXHKVUDQ-UHFFFAOYSA-N	304.459	4.759	50	20	DJGD	
Cc1csc(/C(C#N)=C\c2cccc(-c3ccccn3)c2)n1	255215527	MVLNVOOLIMCDDU-YBEGLDIGSA-N	303.390	4.578	50	20	DJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2cc(C)ccc2F)c1C	735077034	JSBGSHHHEJWSAP-BOPFTXTBSA-N	322.383	4.528	50	20	DJGD	
CC(C)c1nc(/C=C(\C#N)C(=O)C2CCCCC2)c2ccccn12	767736768	MUILPLSWFOPYSQ-FOWTUZBSSA-N	321.424	4.514	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H]1CC[C@@H](C)C1	776299991	SKQYVCZNNFALMJ-DOMZBBRYSA-N	316.470	4.759	50	20	DJGD	
N#C/C(=C\c1cc(Cl)ccc1OCC1CC1)c1ccccn1	797398869	RYKDKAYJSMBBKQ-OQLLNIDSSA-N	310.784	4.588	50	20	DJGD	
COCc1ccccc1/C=C(C)/C=C(\C#N)c1nc(C)c(C)s1	814188562	NWDHDSSDBXGGMY-BUHHDHKDSA-N	324.449	4.917	50	20	DJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2ccc3ncccc3c2)c1	918714533	ZASDPNAJAFTFIT-XDHOZWIPSA-N	312.372	4.642	50	20	DJGD	
CC(C)c1cccnc1NC(=O)CCCC[C@@H]1CCSS1	752499959	OIQGNXJFZHXCDB-CYBMUJFWSA-N	324.515	4.858	50	20	DJGD	
N#C/C(=C\c1ccccc1Br)C(=O)C1CCCCC1	767713593	LIJBHEJVYWAOSA-GXDHUFHOSA-N	318.214	4.505	50	20	DJGD	
N#C/C(=C/c1cccc(F)c1F)C(=O)c1ccc(F)c(Cl)c1	773153466	FYNZZDCFTHCESC-WDZFZDKYSA-N	321.685	4.547	50	20	DJGD	
CSc1cc(/C(C#N)=C\c2ccc(Cl)cc2Cl)ncn1	773177649	WNTYHMKZCDUWMC-WMZJFQQLSA-N	322.220	4.569	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C/C=C/c3ccc(F)c(F)c3)[nH]c12	794699695	FSTOFFKWCFCUBW-YLTNESKFSA-N	321.330	4.770	50	20	DJGD	
Cc1cc(F)ccc1/C=C(/C#N)c1ncc(C(C)(C)C)s1	797398335	GSQBDYHOVQFXKY-JYRVWZFOSA-N	300.402	4.952	50	20	DJGD	
N#C/C(=C/c1ccc(Cl)cc1)c1cc(C(F)(F)F)ccn1	812246446	LQPRSIQRRISXRP-XFFZJAGNSA-N	308.690	4.818	50	20	DJGD	
N#C/C(=C/c1cccs1)C(=O)Nc1cc(Cl)ccc1Cl	8379472	ATCIFTXONJISQS-TWGQIWQCSA-N	323.204	4.601	50	20	DJGD	
CCCc1cccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)c1	773909998	UQELABNDNJAQSS-CPNJWEJPSA-N	318.420	4.802	50	20	DJGD	
CCc1cccc(Cl)c1/C=C(/C#N)c1nc2c(C)ccnc2[nH]1	788730741	GJCHGKGCHJJBLP-LCYFTJDESA-N	322.799	4.546	50	20	DJGD	
O=C(NNc1c(F)cccc1Cl)c1cccc(C2CCC2)c1	798500094	OOLGAVQJEBGDCF-UHFFFAOYSA-N	318.779	4.504	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2ccc3c(c2)CCC3)c1C	1318717032	GDKJRHFNUPAGGQ-UNOMPAQXSA-N	301.389	4.582	50	20	DJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/C=C\c2ccccc2)c(C)c1	33474483	GLJVENMQSCIAGK-DLKPYUDTSA-N	316.404	4.714	50	20	DJGD	
Cc1cc2cc(/C=C(/C#N)C(=O)c3ccccc3F)oc2cc1C	749807157	KWRPGOOVBDYSIG-GDNBJRDFSA-N	319.335	4.979	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cnc(C2CCC2)s1	760208803	BHZBEADVTVMOGE-GHXNOFRVSA-N	314.435	4.570	50	20	DJGD	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)cc1)c1ccncn1	789147964	LYKQQPTZVGVJOG-BOPFTXTBSA-N	317.779	4.861	50	20	DJGD	
C=CCOc1cccc(/C=C(\C#N)c2ccc3ccccc3n2)c1	917144333	GDGRWJZGMGBVKU-QGOAFFKASA-N	312.372	4.864	50	20	DJGD	
O=C(C=C1CCCC1)NNc1c(Cl)cc(Cl)cc1Cl	917526484	MJTKMAJTINKMCG-UHFFFAOYSA-N	319.619	4.590	50	20	DJGD	
Cc1ccc(-c2ncc(/C=C(/C#N)c3nc(C)cs3)s2)cc1	588616502	RYSUSCGQXAJAGA-AUWJEWJLSA-N	323.446	4.948	50	20	DJGD	
Cc1cc2cc(/C=C(\C#N)C(=O)c3ccccc3)oc2cc1C	749809652	GYSWOHLPRJHVKV-GZTJUZNOSA-N	301.345	4.840	50	20	DJGD	
CN(C(=O)/C(C#N)=C\c1cc2ccccc2s1)C1CCCCC1	758419571	XXUXLIFLGPGBQL-QINSGFPZSA-N	324.449	4.599	50	20	DJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2cnc(Cl)c(C)c2)cc1	760209677	DANJKSCWRGJIPJ-YVLHZVERSA-N	324.811	4.786	50	20	DJGD	
N#C/C(=C\c1ccc(Br)cc1)C(=O)C1CCCCC1	767712723	FDHXZGGUPDLJFR-GXDHUFHOSA-N	318.214	4.505	50	20	DJGD	
CCOc1c(Cl)cccc1/C=C(\C#N)C(=O)CC(C)(C)C	780003915	AFQNPBYSNBONBT-UKTHLTGXSA-N	305.805	4.651	50	20	DJGD	
CSSCCNC(=O)N(c1ccccc1)c1ccccc1	790348398	GBLXRXBYCWNFFE-UHFFFAOYSA-N	318.467	4.546	50	20	DJGD	
CCCN(N=C1CC(c2cccc(F)c2)C1)C(=O)OC(C)(C)C	794993573	YWWBQPRICWDNCK-UHFFFAOYSA-N	320.408	4.706	50	20	DJGD	
Clc1ccc(COC2(CBr)CCCC2)cc1	83473544	LHSBLZDPCWVYBL-UHFFFAOYSA-N	303.627	4.564	50	20	DJGD	
C=CCOc1cccc(/C=C(/C#N)c2ccc([N+](=O)[O-])c(C)c2)c1	774557382	FBROUJUJPVMBCO-BOPFTXTBSA-N	320.348	4.532	50	20	DJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccc(C)c(F)c2)c(C)c1	67427892	JTUJEMWZTLVRDN-MFOYZWKCSA-N	322.383	4.605	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CCC1CC1	267178815	WTCYGCVFNCOSGK-UHFFFAOYSA-N	302.443	4.513	50	20	DJGD	
Cc1oc2ccccc2c1/C=C(\C#N)c1nc2cccc(C)c2[nH]1	759035227	NBNNJISVEJGNDU-GXDHUFHOSA-N	313.360	4.990	50	20	DJGD	
N#C/C(=C\c1c(F)cccc1F)C(=O)c1ccc(Cl)cc1F	179608304	HWVMKBGVYXPOGC-RMKNXTFCSA-N	321.685	4.547	50	20	DJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)NC1CC1	181778236	RZHXBZZCAMCKNB-UHFFFAOYSA-N	302.268	4.628	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccccc1OC1CCCC1	741473579	JHNPOHNIJITOKO-SUCHYCSPSA-N	311.425	4.920	50	20	DJGD	
Cc1ccnc2[nH]c(/C(C#N)=C\c3csc4ccccc34)nc12	741474746	ZDULRBWTYSJNNM-WQLSENKSSA-N	316.389	4.545	50	20	DJGD	
C/C(=C/C(=O)NNc1ccc(Cl)cc1Cl)c1ccccc1	748008179	POUUGMRKDZXDES-LUAWRHEFSA-N	321.207	4.540	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(OCC3CC3)cc2)cc1	790099449	GNTZCTUNHRDCFC-UNOMPAQXSA-N	317.388	4.574	50	20	DJGD	
CCC[C@H](C=NNC(=O)c1ccccc1Cl)c1ccccc1	1320507735	UOGDVILDKAAQEK-OAHLLOKOSA-N	314.816	4.640	50	20	DJGD	
N#C/C(=C/c1cccc(-c2cccnc2)c1)c1nc2ccccc2[nH]1	127711890	ZQWFTDGDTFMISK-PDGQHHTCSA-N	322.371	4.689	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2c(C)oc3ccccc23)s1	759034783	KYYVWTANSFJBCO-LCYFTJDESA-N	307.374	4.901	50	20	DJGD	
CCSc1cccc(/C=C(/C#N)C(=O)c2ccc(F)cc2)c1	769723767	CAXKZMNMRSAZNC-GDNBJRDFSA-N	311.381	4.728	50	20	DJGD	
CC(C)(C)C(=O)/C(C#N)=C/c1cc(Cl)cc(C(F)(F)F)c1	780149191	UTTXJOUFDGHRIY-ONNFQVAWSA-N	315.722	4.881	50	20	DJGD	
N#C/C(=C/c1ccsc1Cl)C(=O)c1cccc(Cl)c1	790100875	SYOCVIWSBWDCIW-WDZFZDKYSA-N	308.189	4.845	50	20	DJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2cc(F)c(F)cc2F)s1	797398512	HYGBIZVJCSIMHP-ONNFQVAWSA-N	322.355	4.922	50	20	DJGD	
C=CC[C@@H]1CCCN(C(=O)CCCC[C@H]2CCSS2)C1	855440072	DPSRJGXXGYRLGK-CABCVRRESA-N	313.532	4.515	50	20	DJGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccccc1OCc1ccccc1	33466771	YZJNIKKPWINAPB-AQTBWJFISA-N	319.404	4.788	50	20	DJGD	
Cc1cc(C)c(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc1C	211479748	KAEGAXCEXRQEKY-ODLFYWEKSA-N	318.420	4.774	50	20	DJGD	
CCCn1cccc1/C=C(/C#N)c1nc2cc(F)ccc2s1	730259659	AWAKRDVKKFOSIO-XFXZXTDPSA-N	311.385	4.711	50	20	DJGD	
C[C@H](CBr)CN[C@H](C)c1csc2ccccc12	770668335	LLBDXWMYYBONEF-GHMZBOCLSA-N	312.276	4.583	50	20	DJGD	
N#C/C(=C\c1cccc(Cl)c1F)C(=O)c1cc(F)cc(F)c1	772179902	SSMQHEUSERACJA-NYYWCZLTSA-N	321.685	4.547	50	20	DJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)c(C)c1	6430517	PXYUPTFCMFAYMI-GZTJUZNOSA-N	314.388	4.883	50	20	DJGD	
CC(C)(C)c1ccc(NNC(=O)c2cccc(C(F)F)c2)cc1	181149573	OPQZRMWFIWBSDO-UHFFFAOYSA-N	318.367	4.679	50	20	DJGD	
CC1(C)CCc2cc(/C=C(/C#N)C(=O)c3ccsc3)ccc2O1	731564649	NKNPQBRFSKUNKB-YBEGLDIGSA-N	323.417	4.642	50	20	DJGD	
O=C(CCCC1CCCC1)NNc1cccc(C(F)(F)F)c1	743299920	XAOKORQLJIHISP-UHFFFAOYSA-N	314.351	4.509	50	20	DJGD	
N#C/C(=C\c1ccsc1Cl)C(=O)Nc1ccc(Cl)cc1	790102153	YYXGJBMQXZBCDL-JXMROGBWSA-N	323.204	4.601	50	20	DJGD	
Cc1cccc([C@@H]2CCCN2CCO[Si](C)(C)C(C)(C)C)n1	808735169	NWLUUGGWGLUHOJ-KRWDZBQOSA-N	320.553	4.549	50	20	DJGD	
N#C/C(=C/c1ccc2c(c1)CCC2)C(=O)c1cccc(Cl)c1	1318751177	CGIRMFUAFNNYEU-YVLHZVERSA-N	307.780	4.619	50	20	DJGD	
N#C/C(=C\c1ccsc1)c1nc2ccccc2n1C(F)F	23702187	XHDKBCLPRILAAN-YRNVUSSQSA-N	301.321	4.557	50	20	DJGD	
N#C/C(=C/c1cccc(C(F)(F)F)c1)c1nc2ccccc2[nH]1	51075397	TZAGFQVJOAIKPP-WQLSENKSSA-N	313.282	4.646	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cccc(-c3cccnc3)c2)cc1	154291929	PVLRXAKBFTVFML-FYJGNVAPSA-N	324.383	4.847	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2nccc3ccccc23)c1C	740765599	JFZBUXAYPKDUAI-SFQUDFHCSA-N	312.372	4.642	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc2c(c1)CCC(C)(C)O2	741470107	QHYBXHRGJVTRED-IQGJIOQQSA-N	311.425	4.702	50	20	DJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(F)cc2C)c1C	750893054	NRKSQUBYBMWVBD-BOPFTXTBSA-N	324.399	4.752	50	20	DJGD	
C=CCC[C@@H](C(=O)NNc1ccccc1Cl)c1ccccc1	779010242	JKPWKBVUNUXDRR-OAHLLOKOSA-N	314.816	4.533	50	20	DJGD	
N#C/C(=C\c1cc2ccccc2o1)C(=O)c1ccc(Cl)s1	783686945	BZHUDJFNBRGZOV-DHZHZOJOSA-N	313.765	4.938	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cccc(CCl)c2)s1	799892043	DJANCHUEMZIPHJ-ZSOIEALJSA-N	301.798	4.585	50	20	DJGD	
CSc1cc(/C(C#N)=C\c2ccc(C3CCCC3)cc2)ncn1	812241401	CREOTAMUMKNRDD-YVLHZVERSA-N	321.449	4.920	50	20	DJGD	
CCOC(=O)/C(C#N)=C/c1ccc(-c2ccccc2Cl)s1	22841266	GBXNVSFOMVBXRQ-PKNBQFBNSA-N	317.797	4.539	50	20	DJGD	
Cc1cc(/C=C(/C#N)C(=O)c2cc3ccccc3o2)cc(C)c1O	72543339	NLQFHYCTEXRIKY-SXGWCWSVSA-N	317.344	4.545	50	20	DJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(N(C)c2ccccc2)cc1	726594752	PQVFWRLUQRRSPC-IYWFSZBXSA-N	318.420	4.977	50	20	DJGD	
CCSc1cccc(/C=C(/C#N)C(=O)c2ccc(C)s2)c1	769726124	OVYPIKXPSAZWMT-ZROIWOOFSA-N	313.447	4.958	50	20	DJGD	
CCOc1ccccc1/C=C(/C#N)C(=O)c1cccc(Cl)c1	810217230	YZRRKKBRSBBHEE-GDNBJRDFSA-N	311.768	4.529	50	20	DJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2cccc(O)c2Cl)s1	834441462	KHUDMFJRHDJILS-YRNVUSSQSA-N	318.829	4.864	50	20	DJGD	
Cc1csc(/C(C#N)=C\c2ccccc2OC2CCCC2)n1	67953131	KIHAKCFWDDZBPZ-GDNBJRDFSA-N	310.422	4.837	50	20	DJGD	
CC(C)(C)CCCNC(=O)CCCC[C@@H]1CCSS1	150186187	ZBAGBPWRBTYYRK-CYBMUJFWSA-N	303.537	4.643	50	20	DJGD	
COc1ccc2oc(/C=C(/C#N)C(=O)c3ccc(C)s3)cc2c1	160224159	ONOACBVHJMKUTB-LCYFTJDESA-N	323.373	4.601	50	20	DJGD	
Cc1ccc(-c2nc(/C=C(\C#N)c3nc(C)c(C)s3)co2)cc1	749895016	VBJZNYRWEFVVCR-OVCLIPMQSA-N	321.405	4.788	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C/c3cnc(C(C)C)s3)[nH]c12	758417866	JEZPXPGDWCTTSP-KPKJPENVSA-N	308.410	4.515	50	20	DJGD	
Cc1cc(/C=C(/C#N)C(=O)c2cc3ccccc3o2)cnc1Cl	760211997	RYJOBOJKRJRCQO-AUWJEWJLSA-N	322.751	4.580	50	20	DJGD	
N#C/C(=C/c1cc(F)cc(F)c1)C(=O)c1ccc(F)c(Cl)c1	773155776	ZZYDKNNXYYUATO-JYOAFUTRSA-N	321.685	4.547	50	20	DJGD	
CN(CC1CCCCC1)C(=O)CCCC[C@H]1CCSS1	913484604	JDLQZPNNMZMQRO-HNNXBMFYSA-N	315.548	4.739	50	20	DJGD	
CC(CCC(C)C)=NNC(=O)c1cc2c(s1)CCCCC2	916370069	SORZVKOKLSTNGW-UHFFFAOYSA-N	306.475	4.559	50	20	DJGD	
N#C/C(=C/c1cc2ccccc2s1)C(=O)c1ccc(F)cc1	758416848	FQFOCRDSAZLVGK-UVTDQMKNSA-N	307.349	4.830	50	20	DJGD	
FC(F)(F)[C@H](Cl)Sc1ccccc1NCc1ccon1	873082555	GIFAPUKTJUSMDQ-LLVKDONJSA-N	322.739	4.506	50	20	DJGD	
Oc1nc(C(Cl)Cl)nc2scc(C3CCCCC3)c12	917511736	FTTZEWUGMZZGOP-UHFFFAOYSA-N	317.241	4.921	50	20	DJGD	
CC(C)=CCC/C(C)=C/C=NNC(=O)c1ccccc1Cl	1317699731	XIYZSZBETHLRIE-XHOSPMEYSA-N	304.821	4.748	50	20	DJGD	
N#C/C(=C/c1ccc2c(c1)CCC2)C(=O)c1ccc(Cl)s1	1325202226	UZCCSQSKUPBPAG-ZROIWOOFSA-N	313.809	4.680	50	20	DJGD	
COc1ccc2ccccc2c1/C=C(/C#N)C(=O)c1ccoc1C	255894663	KTNZLEHYSPVRKK-PTNGSMBKSA-N	317.344	4.540	50	20	DJGD	
N#C/C(=C/C=C\c1ccc(F)cc1)c1cc(C(F)(F)F)ccn1	812249400	ZKPAXSYBLRBZPJ-IQTQREKJSA-N	318.273	4.860	50	20	DJGD	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)CC(C)(C)C)cc1F	739425242	NORSNHCQCYJBHP-GDNBJRDFSA-N	316.420	4.584	50	20	DJGD	
CCCCC1CCC(C(=O)/C(C#N)=C/c2ccc(F)nc2)CC1	777466673	DRHPBBZUTVYWJA-GZTJUZNOSA-N	314.404	4.693	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C\c1cscc1C(F)(F)F	811628352	VETZEMICCWHHSK-YHYXMXQVSA-N	301.333	4.679	50	20	DJGD	
CC[C@@](C)(CO)NCc1cccc(S(F)(F)(F)(F)F)c1	921667773	MTTXYUHRUSNWGC-LBPRGKRZSA-N	319.339	4.595	50	20	DJGD	
CCCCCC[C@H]1CCCC1=NNC(=O)c1ccc(OC)cc1	1318237318	TUXIYDMLGSOQKR-HNNXBMFYSA-N	316.445	4.552	50	20	DJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1coc2ccccc12	255405436	OIAJSUHNLILUOC-GDNBJRDFSA-N	316.360	4.595	50	20	DJGD	
CCc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)o1	760212260	WCJDPACCXUNWKG-XFFZJAGNSA-N	324.767	4.767	50	20	DJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(F)c(Cl)c1Cl	761386221	OKGXSAYALVSZPR-QMEHYBMDSA-N	300.160	4.655	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2ncc(C(C)(C)C)s2)c1C	790600995	PUYALXFJTPMZCS-ZROIWOOFSA-N	324.449	4.847	50	20	DJGD	
N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)c1ccc(F)cc1	8202506	NOUDREFXKHLCKQ-KPKJPENVSA-N	320.150	4.922	50	20	DJGD	
CC(C)[C@@H]1CCCCN1C(=O)CCCC[C@@H]1CCSS1	735285903	XRSRYCKZKUDKMG-CABCVRRESA-N	315.548	4.738	50	20	DJGD	
N#C/C(=C\c1ccc(F)c(C#N)c1)c1nc2cc(F)ccc2s1	770574485	XMWZRTYXQMMAKX-WUXMJOGZSA-N	323.327	4.510	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CCC1CCC1	175470414	IAAJVILWNPQBIN-UHFFFAOYSA-N	316.470	4.903	50	20	DJGD	
CC[C@@H](Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)OC	185559910	ISCQJXHEEBUJSW-SNVBAGLBSA-N	319.295	4.708	50	20	DJGD	
CCCOCC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	191946514	ULQFLMFQZUUGHI-UHFFFAOYSA-N	319.295	4.709	50	20	DJGD	
CC1(C)CCC(=NNC(=O)c2ccc(Cl)cc2Cl)CC1	735972879	XFCICLQZMKZLRQ-UHFFFAOYSA-N	313.228	4.679	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1csc(-c2cccs2)n1	794874752	OAWGMTVICBVVBJ-FLIBITNWSA-N	316.451	4.784	50	20	DJGD	
C/C(N)=C(\C#N)c1nc(-c2ccc(C(C)(C)C)cc2)c(C)s1	806552921	BQMZHUKZCHOHHH-PTNGSMBKSA-N	311.454	4.629	50	20	DJGD	
N#C/C(=C/c1cscc1C(F)(F)F)C(=O)C1CCCCC1	811627783	GXPTZRMQDGMPHW-WDZFZDKYSA-N	313.344	4.823	50	20	DJGD	
N#C/C(=C\c1ccc(N2CCCC2)cc1)c1nc(C2CC2)cs1	1261490479	VXNICKYZESRELG-LFIBNONCSA-N	321.449	4.685	50	20	DJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccc(F)c(C)c2)c(C)c1	255047834	HINCAVRKORUJBT-LICLKQGHSA-N	322.383	4.605	50	20	DJGD	
Cc1csc(/C(C#N)=C/c2ccc(C(F)(F)F)s2)n1	761390755	FNVXCRCFHPQGCN-XBXARRHUSA-N	300.330	4.596	50	20	DJGD	
Cc1cccc(C)c1/C=C(\C#N)c1cc(C(F)(F)F)ccn1	812248254	HZANVVVYOQTOLY-MDWZMJQESA-N	302.299	4.781	50	20	DJGD	
Cc1ccc(F)c(/C=C(/C#N)c2nc(-c3ccncc3)cs2)c1	116609306	ZYJFOZMTAJBWMT-DHDCSXOGSA-N	321.380	4.717	50	20	DJGD	
N#C/C(=C/c1cnc(C2CCCC2)s1)c1nc2ccccc2[nH]1	128676720	VONNFJDLABZJIK-LCYFTJDESA-N	320.421	4.741	50	20	DJGD	
CC(C)=CCC/C(C)=C/C=NNC(=O)c1cn(C)c2ccccc12	744781487	ZQRGRSJIZAYAQJ-DKGVXWIOSA-N	323.440	4.587	50	20	DJGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(C2CCCC2)cc1	810684599	BCVWTUQIGVNQPK-UHFFFAOYSA-N	312.388	4.549	50	20	DJGD	
CC(=C/c1ccccc1OC(F)F)/C=C(/C#N)c1ccccn1	811685525	VIIMKYNASDEKSV-BDXDCFHCSA-N	312.319	4.693	50	20	DJGD	
CC(C)(C)[Si](C)(C)OCc1csc(-c2cncc(F)c2)n1	864534880	ITXVBMUVOVUACT-UHFFFAOYSA-N	324.497	4.866	50	20	DJGD	
Cc1cc(/C=C(\C#N)C(=O)c2ccccc2F)c(C)n1CC(C)C	8201989	SSOBZLOCDQSSHY-LICLKQGHSA-N	324.399	4.690	50	20	DJGD	
C[C@@H]1CCC[C@H](NC(=O)CCCC[C@H]2CCSS2)[C@@H]1C	302692596	VLGLLHULVIBOSR-KBXIAJHMSA-N	315.548	4.641	50	20	DJGD	
C[C@@H]1CCC[C@H](NC(=O)CCCC[C@@H]2CCSS2)[C@@H]1C	302692601	VLGLLHULVIBOSR-TUVASFSCSA-N	315.548	4.641	50	20	DJGD	
Cn1ccc(CNc2cccc(S(F)(F)(F)(F)F)c2)n1	690182102	WVVYNMGOQSNANF-UHFFFAOYSA-N	313.295	4.690	50	20	DJGD	
CCCC(=NNC(=O)c1c[nH]c2ccccc12)C1CCCCC1	727776780	GAUAORNAFGEQKF-UHFFFAOYSA-N	311.429	4.634	50	20	DJGD	
Cc1cccc(NNC(=O)C[C@H](C)c2ccc(C(C)C)cc2)c1	738510721	QQIACYZWFQFOHP-INIZCTEOSA-N	310.441	4.755	50	20	DJGD	
O=C(C1CCC(Cl)CC1)N1CCCCC[C@@H]1c1ccco1	1123581379	ZGUATQPNPDRISZ-YMAMQOFZSA-N	309.837	4.521	50	20	DJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2cc(C)ccc2F)c(C)c1	172215018	JNFLSMKPSOTDCF-LICLKQGHSA-N	322.383	4.605	50	20	DJGD	
Cc1cc(C)c(/C=C(/C#N)c2nc3ccccc3n2C)cc1C	207882327	VLIPUYCFOLDAGT-BOPFTXTBSA-N	301.393	4.563	50	20	DJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1cccc(Cl)c1	213150344	PKQQKMFDORKIGS-ZROIWOOFSA-N	320.779	4.920	50	20	DJGD	
N#C/C(=C/c1ccsc1)c1ncc(C(F)(F)F)cc1Cl	810250387	HIZSTABPBBUCDN-OQFOIZHKSA-N	314.719	4.879	50	20	DJGD	
FS(F)(F)(F)(F)c1cccc(NCc2ccon2)c1	720398627	RCCVHCUSWNJXJO-UHFFFAOYSA-N	300.252	4.944	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc2c(c1)CCC(C)(C)O2	731564494	GSGHTTXGMBKBCX-SFQUDFHCSA-N	311.425	4.702	50	20	DJGD	
C/C(=C\C(=O)NNc1cc(C)ccc1C)c1cccc(Cl)c1	748426594	CCDNRLZFKBRERH-GXDHUFHOSA-N	314.816	4.503	50	20	DJGD	
O=C(NNc1ccccc1)Nc1ccc2c(c1)oc1ccccc12	762238112	JZDQCZBNBBSCIC-UHFFFAOYSA-N	317.348	4.735	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C\c1c(F)cccc1Br	794873715	APMSVAPKMIEVTJ-FLIBITNWSA-N	324.193	4.500	50	20	DJGD	
Cc1ccc(/C=C(/C#N)c2nc(-c3ccncc3)cs2)cc1	58181250	JHFZRWYWWDFHJG-YBEGLDIGSA-N	303.390	4.578	50	20	DJGD	
Cc1ccc(C)c(NC(=O)CCCC[C@@H]2CCSS2)c1	302694414	ZDCLUBNPRLKZQY-CQSZACIVSA-N	309.500	4.956	50	20	DJGD	
N#C/C(=C\c1cc(F)c(F)c(F)c1)c1ccc2ccccc2n1	727974372	JPAZNJVVOIMMTN-NTUHNPAUSA-N	310.278	4.716	50	20	DJGD	
Cc1cc(F)ccc1/C=C(/C#N)C(=O)c1c(C)[nH]c2ccccc12	750896586	RCBFOSHLFXJPCG-GDNBJRDFSA-N	318.351	4.714	50	20	DJGD	
N#C/C(=C\c1ccsc1Cl)C(=O)Nc1ccccc1Cl	790102146	YTEAZNGHKUZASA-JXMROGBWSA-N	323.204	4.601	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(F)cc1Br	794873496	FMVSAGJZYDHBMX-YRNVUSSQSA-N	324.193	4.500	50	20	DJGD	
CC(C)=CCC/C(C)=C\C=NNC(=O)Cc1c[nH]c2ccccc12	916341090	XLFYKLAIWBBDMD-INFBTJPKSA-N	323.440	4.505	50	20	DJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc2occc2c1	490944381	WDQSQRYLRVWPFV-GZTJUZNOSA-N	316.360	4.595	50	20	DJGD	
CC[C@H]1CCCN(C(=O)CCCC[C@@H]2CCSS2)CC1	735274918	NCEIARRLDQYWBH-LSDHHAIUSA-N	315.548	4.739	50	20	DJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc3sccc3c2)cc1	780802361	KMMSXXGDKRLTDU-UHFFFAOYSA-N	324.449	4.956	50	20	DJGD	
CC(F)(F)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	816113668	YEFCWFIJEJRWJN-UHFFFAOYSA-N	311.222	4.938	50	20	DJGD	
Cc1oc(C(C)C)cc1C(=O)NNc1ccc(C(C)C)cc1	837052448	AHQOORSNTKOTQA-UHFFFAOYSA-N	300.402	4.592	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1csc(C(F)(F)F)c1	863186451	YBXLFGLGKLGXMR-WUFUFFIZSA-N	301.333	4.679	50	20	DJGD	
CC(C)(C)[Si](C)(C)OCc1csc(-c2cccnc2F)n1	904743485	VCZDXENLULCDNI-UHFFFAOYSA-N	324.497	4.866	50	20	DJGD	
Cc1cccc(NNC(=O)c2cc3c(Cl)cccc3s2)c1	912634628	NWEBVPGOVJLJLH-UHFFFAOYSA-N	316.813	4.620	50	20	DJGD	
C[C@H]1C[C@H](c2ccncc2N)C[C@H](O[Si](C)(C)C(C)(C)C)C1	203798018	HNURBQJQUBJECZ-SOUVJXGZSA-N	320.553	4.958	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2ccc3ncccc3c2)c1C	727655457	UBYLOMJMHBRGEJ-LDADJPATSA-N	312.372	4.642	50	20	DJGD	
Cc1ccsc1/C=C(/C#N)C(=O)c1ccc(F)c(Cl)c1	773143965	GXNJQAJTDYONMH-XFFZJAGNSA-N	305.761	4.639	50	20	DJGD	
Cc1cc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)cc2cccnc12	783707521	QSBIZGYMUPIKRU-GZTJUZNOSA-N	324.387	4.792	50	20	DJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/C(C)=C/c1ccccc1OC(F)F	811689663	IURMJBJJQOTPHT-FUTDRKOBSA-N	319.351	4.756	50	20	DJGD	
O=C(Nc1ccccc1CC(F)(F)F)C1CCC(Cl)CC1	1519634260	GGLHIQHCXXESEP-UHFFFAOYSA-N	319.754	4.528	50	20	DJGD	
N#C/C(=C/c1csc(-c2cccs2)n1)C(=O)c1ccccc1	78481754	RQCUAVNOBFIPEG-LCYFTJDESA-N	322.414	4.661	50	20	DJGD	
N#C/C(=C\c1csc2ccccc12)c1cnc2ccccc2n1	191361274	DVVIABQCVRXYOA-UKTHLTGXSA-N	313.385	4.909	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2ccc([C@@H]3C[C@@H]3C)o2)c1C	727827560	HAILLRMNAAAEAY-KKGASAABSA-N	305.377	4.810	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/C=C/c2ccc(F)cc2F)cc1	764922372	YMMSLCWSZMMTOT-PCSFBJKQSA-N	309.315	4.619	50	20	DJGD	
CCCCOc1ccccc1/C=C(\C#N)C(=O)c1ccsc1	767352400	SSIOFRMGUHYCIH-LFIBNONCSA-N	311.406	4.717	50	20	DJGD	
N#C/C(=C\c1ccc2occc2c1)C(=O)c1cc(F)cc(F)c1	794690223	HMHDOORMPOWPRI-MKMNVTDBSA-N	309.271	4.501	50	20	DJGD	
COCc1ccccc1/C=C(C)/C=C(/C#N)C(=O)c1ccsc1	814188984	ZVMBXWZCZMKFBL-HSWCLZHESA-N	323.417	4.631	50	20	DJGD	
CC[C@@H](C(=O)NN=Cc1csc2ccccc12)c1ccccc1	731932247	DTEJLUBHLJLVIM-MRXNPFEDSA-N	322.433	4.545	50	20	DJGD	
O=C(NN=C1CC[C@H]2CCCC[C@H]2C1)c1cccc2ccccc12	741462588	KNKPVQOMLZZYOJ-WBVHZDCISA-N	320.436	4.916	50	20	DJGD	
Cc1cc(C)c(NNC(=O)c2oc3c(C)cccc3c2C)c(C)c1	743762691	HQMHDJHESFHVIR-UHFFFAOYSA-N	322.408	4.732	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(Cl)s2)cc1C	809145819	GTHKLVBKDCMBPJ-MDWZMJQESA-N	301.798	4.808	50	20	DJGD	
N#C/C(=C\c1cc(Cl)cc(Cl)c1)c1ccc([N+](=O)[O-])cc1	917517318	ODVJZHISZZPQAS-LFYBBSHMSA-N	319.147	4.966	50	20	DJGD	
CC[C@@H](Cl)c1nc2scc(-c3ccc(C)cc3)c2c(=O)[nH]1	43554322	JZFAXUGAULFOTG-GFCCVEGCSA-N	318.829	4.650	50	20	DJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3cccc(F)c3F)c[nH]c2c1	303254544	CXVRYNYUCQTNLC-MDWZMJQESA-N	322.314	4.544	50	20	DJGD	
Cn1nccc1CNc1ccc(S(F)(F)(F)(F)F)cc1	689651688	YWDCBLWUCATMOY-UHFFFAOYSA-N	313.295	4.690	50	20	DJGD	
CCCCc1oc2ccccc2c1/C=C(\C#N)c1ccncn1	758914600	HHBZGFSZWCHQAE-SDNWHVSQSA-N	303.365	4.630	50	20	DJGD	
Cc1cc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)cc2cccnc12	783707519	QSBIZGYMUPIKRU-BOPFTXTBSA-N	324.387	4.792	50	20	DJGD	
N#C/C(=C\c1ccc2ccccc2c1)C(=O)c1ccccc1F	8201976	SUISKCPVOWCUAL-SFQUDFHCSA-N	301.320	4.769	50	20	DJGD	
CCc1cccc2c(/C=C(/C#N)C(=O)c3ccccc3F)c[nH]c12	212678476	SWBXZBYXLXJZDD-UVTDQMKNSA-N	318.351	4.659	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cccc3ccccc23)s1	729823350	OCWFCEVPRXAMKA-WJDWOHSUSA-N	303.386	5.000	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C/c3ccccc3OC(C)C)[nH]c12	735620187	WNHPJSBKDGWOLJ-LFIBNONCSA-N	317.392	4.723	50	20	DJGD	
Cc1cc(C)c(C(=O)NNc2ccc(C(C)(C)C)cc2)c(C)c1	781041460	MSHUFBNDMAMVEO-UHFFFAOYSA-N	310.441	4.666	50	20	DJGD	
CCc1cccc(Cl)c1/C=C(\C#N)C(=O)c1ccccc1F	788731257	CPTLCZMGHBARGK-JLHYYAGUSA-N	313.759	4.831	50	20	DJGD	
N#C/C(=C\c1ccc(Cl)s1)C(=O)c1c[nH]c2ccccc12	14177104	IHGZWFFLNBJHEI-JXMROGBWSA-N	312.781	4.673	50	20	DJGD	
Cc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)c(C)c1	213100167	XTIACZYYPLCGFG-YBEGLDIGSA-N	324.811	4.811	50	20	DJGD	
CCn1nc(/C=C(\C#N)c2nc(C(C)C)cs2)c2ccccc21	274535286	RVOLMLVVYIJKDI-UKTHLTGXSA-N	322.437	4.700	50	20	DJGD	
CCCCC(CC)=NNC(=O)c1cc2c(s1)CC[C@H](C)C2	732923574	FJJQXEHPKJIDBW-LBPRGKRZSA-N	306.475	4.559	50	20	DJGD	
CCSc1cccc(/C=C(\C#N)C(=O)c2ccc(F)cc2)c1	769723770	CAXKZMNMRSAZNC-XNTDXEJSSA-N	311.381	4.728	50	20	DJGD	
N#C/C(=C\c1ccc(F)cc1Cl)C(=O)c1cc(F)cc(F)c1	772176064	LEHGOTTXWUESJA-QDEBKDIKSA-N	321.685	4.547	50	20	DJGD	
Cc1cc(/C(C#N)=C/c2c(F)cccc2Cl)ccc1[N+](=O)[O-]	776194014	XORHAYZGEKNQNA-XYOKQWHBSA-N	316.719	4.760	50	20	DJGD	
N#C/C(=C\c1cccc(CCl)c1)C(=O)c1c[nH]c2ccccc12	799889396	NZQCVHHXFRVDIJ-OQLLNIDSSA-N	320.779	4.697	50	20	DJGD	
N#C/C(=C/c1cscc1C(F)(F)F)c1nc2ccccc2[nH]1	811626312	FLHSKIWLHULFBV-UITAMQMPSA-N	319.311	4.707	50	20	DJGD	
N#C/C(=C\c1cccc(CCl)c1)c1nc(C2CC2)cs1	843274030	VIZCRDMTKMUJPI-VGOFMYFVSA-N	300.814	4.823	50	20	DJGD	
N#C/C(=C\c1cccc(Cl)c1)C(=O)c1c[nH]c2cc(F)ccc12	915990906	RLNGSQRNXSOFOO-WUXMJOGZSA-N	324.742	4.750	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/c1cnc(-c2cccs2)s1	177614896	PJNUHLWUUDJBOM-XYOKQWHBSA-N	316.451	4.784	50	20	DJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2cc(F)ccc2C)c(C)c1	182052307	VWPHLGGHZZVFTG-RQZCQDPDSA-N	322.383	4.605	50	20	DJGD	
CSCc1cnc(/C=C(\C#N)c2nc(C(C)C)cs2)s1	295875599	KBOHUNRDDKBREJ-ONNFQVAWSA-N	321.496	4.650	50	20	DJGD	
CCC[C@H](C(=O)NNc1c(C)cc(C)cc1C)c1ccccc1	743764924	XGWTYVLIBJCEOC-SFHVURJKSA-N	310.441	4.639	50	20	DJGD	
Cc1ccc(C)c(NNC(=O)c2cc3ccc(C(C)C)cc3[nH]2)c1	748400766	LLMIRMYCDNBSRB-UHFFFAOYSA-N	321.424	4.665	50	20	DJGD	
C[C@H](NC[C@@H](C)CBr)c1cc2ccccc2s1	770668374	MDWLZXVRSZWAKC-QWRGUYRKSA-N	312.276	4.583	50	20	DJGD	
N#C/C(=C\c1ccc(C(F)F)cc1)c1cnc2ccccc2n1	794944229	RKUIVNCWIYVUAF-NTEUORMPSA-N	307.303	4.632	50	20	DJGD	
N#C/C(=C/c1cccc(OC2CCCC2)c1)C(=O)c1ccccc1	917516856	CKFUJPPOQKOJFQ-AQTBWJFISA-N	317.388	4.798	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1csc(-c2cccs2)n1	125525993	XCPBIFJHSYJYNR-LCFDYFRESA-N	316.451	4.784	50	20	DJGD	
CSc1ccsc1C(=O)NNc1ccc(C(C)(C)C)cc1	181149220	WIOVQJNLHDMTTK-UHFFFAOYSA-N	320.483	4.524	50	20	DJGD	
N#C/C(=C/c1ccc(C(F)(F)F)cc1)C(=O)c1cccc(F)c1	772171324	FUHJCYSOJXZFOO-JYRVWZFOSA-N	319.257	4.634	50	20	DJGD	
N#C/C(=C\c1cnc(C2CCC2)s1)c1nc(C2CC2)cs1	843263742	DTFTXTKZYOBDBU-WUXMJOGZSA-N	313.451	4.809	50	20	DJGD	
CCCC1CCC(=NNC(=O)c2ccc3ccccc3c2)CC1	917547610	YKCLHMMRDJDVIV-UHFFFAOYSA-N	308.425	4.916	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cnc(C(C)(C)C)s2)c1C	736433670	JADCPFAIYYSTME-NTEUORMPSA-N	324.449	4.847	50	20	DJGD	
CSc1cccc(C)c1NC(=O)NNc1cccc(Cl)c1	775806218	KNCPUHIAKQOKJH-UHFFFAOYSA-N	321.833	4.519	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1c(F)cccc1Br	794873745	GWOXZMMVQCRKQJ-NTMALXAHSA-N	324.193	4.500	50	20	DJGD	
CC(C)Oc1ccccc1/C=C(\C#N)c1nc(C2CC2)cs1	843264978	LJNUZIUOLZMZKU-OQLLNIDSSA-N	310.422	4.872	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C/c3ccc(F)c(Cl)c3)[nH]c12	755406996	PLXQXMFMIUJSQD-KPKJPENVSA-N	311.747	4.728	50	20	DJGD	
Cc1nc(/C(C#N)=C/C=C\c2ccc(F)cc2F)sc1C	758063570	XZBFTHNSHLNZBP-FBOMXQGKSA-N	302.349	4.659	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(F)cc1C(F)(F)F	771836581	CNCDOEDOTDVKNT-GHXNOFRVSA-N	313.294	4.757	50	20	DJGD	
Cc1sccc1NC(=O)CCCC[C@H]1CCSS1	870687235	ZQICJXJJZVQOND-NSHDSACASA-N	301.502	4.709	50	20	DJGD	
CCCCCOc1cc(/C=C(\C#N)c2ccccn2)ccc1OC	195287901	DKVBXTFORHBHMM-GHRIWEEISA-N	322.408	4.723	50	20	DJGD	
N#C/C(=C\c1cc2ccccc2s1)C(=O)c1cccc(F)c1	772177927	CIZOYHPIDBNRDS-GXDHUFHOSA-N	307.349	4.830	50	20	DJGD	
N#C/C(=C\c1ccccc1F)C(=O)c1cccc(C(F)(F)F)c1	780374652	PNXVQOXPFWBQQP-MDWZMJQESA-N	319.257	4.634	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccccc1Cl	812765727	SILRQSZBWQEMSV-UHFFFAOYSA-N	302.805	4.529	50	20	DJGD	
COc1cc(Br)ccc1O[Si](C)(C)C(C)(C)C	195874980	QMCJWKWEGJPWMG-UHFFFAOYSA-N	317.299	4.842	50	20	DJGD	
CC[C@@H]1CCC[C@@H](NC(=O)CCCC[C@@H]2CCSS2)C1	740845767	NETPUBAOGBEHTP-RBSFLKMASA-N	315.548	4.786	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(-c2ccc(F)cc2)o1	741470055	PQLZCXYOQFMLBI-JMRXEAOASA-N	311.356	4.998	50	20	DJGD	
CC[C@@]1(C)CCCN(C(=O)CCCC[C@@H]2CCSS2)C1	742863060	ORZNCHZXPXTZNN-ZBFHGGJFSA-N	315.548	4.739	50	20	DJGD	
O=C(CCCC[C@@H]1CCSS1)OC/C(Cl)=C\Cl	763897416	SLGWSRFNDAEYMO-TTZKWOQHSA-N	315.287	4.563	50	20	DJGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1ccc(F)cc1Br	767714311	OYDVFRVLJOBUGP-IZZDOVSWSA-N	324.193	4.500	50	20	DJGD	
CCC[C@@H]1C[C@H]1C(=O)Nc1c(CC)cc(SC#N)cc1CC	812861291	OQNVEHVHUXUSSW-GDBMZVCRSA-N	316.470	4.759	50	20	DJGD	
Cc1cc(C)c(NNC(=O)c2cc(Cl)cc(Cl)c2)c(C)c1	743761355	BYWZHNGTTZQDAM-UHFFFAOYSA-N	323.223	4.676	50	20	DJGD	
C/C(=C\C(=O)NNc1cc(C)cc(C)c1)c1ccccc1Cl	748352786	LKXBGEYNEDEBBK-SDNWHVSQSA-N	314.816	4.503	50	20	DJGD	
N#C/C(=C/c1cc2ccccc2s1)C(=O)Nc1ccc(F)cc1	758416738	RQWFLBRPQPTTIE-RAXLEYEMSA-N	322.364	4.586	50	20	DJGD	
N#C/C(=C\c1ccc(C(F)F)cc1)C(=O)c1ccc(F)cc1	794871540	BVRMRZSILVNASV-NTEUORMPSA-N	301.267	4.553	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1nc(-c2ccccc2)cs1	794954695	RGQXYKDJQZVHET-GXDHUFHOSA-N	310.422	4.722	50	20	DJGD	
COCc1ccccc1/C=C(C)/C=C(/C#N)c1nc(C)cs1	814187489	KWRLYAVQXKDPNV-XGJNPJHKSA-N	310.422	4.608	50	20	DJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2ccc3c(c2)CCC3)c1	1329665149	AXESWFWKQSUXBG-UDWIEESQSA-N	301.389	4.582	50	20	DJGD	
N#C/C(=C\c1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1	6339265	WKRTYBPIVBKOJV-UKTHLTGXSA-N	318.254	4.678	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cc3cc(F)ccc3o2)c1C	741843080	YCGWZKYGLAACOV-GDNBJRDFSA-N	319.335	4.979	50	20	DJGD	
N#C/C(=C\c1ccc2cnccc2c1)C(=O)c1ccc(Cl)s1	780004199	IAUPWWORJQGDTL-RIYZIHGNSA-N	324.792	4.740	50	20	DJGD	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)cc1)c1ccncn1	789147970	LYKQQPTZVGVJOG-GZTJUZNOSA-N	317.779	4.861	50	20	DJGD	
Cc1ccc2cc(/C=C(\C#N)C(=O)C3CCCC3)c(Cl)nc2c1	1254417209	HJQNXZVNWHRCMO-MHWRWJLKSA-N	324.811	4.863	50	20	DJGD	
Cc1ccc(-c2ccc(CN(C(=O)CCl)C(C)C)s2)cc1	1341509863	ORTJJPGIWPPAMH-UHFFFAOYSA-N	321.873	4.699	50	20	DJGD	
N#C/C(=C/c1cccc(O)c1)c1nc2cc(Cl)ccc2s1	96998102	XOZYJCQAFYRUQV-WDZFZDKYSA-N	312.781	4.719	50	20	DJGD	
CC(=C/c1ccccc1)/C=C(/C#N)C(=O)Nc1cccc(C)c1C	211571132	CMEZYBGXEFACSU-MLBUPBODSA-N	316.404	4.795	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1coc(-c2ccc(C)cc2)n1	255131050	LRLKYXIJZBNJPI-FBKCMUNRSA-N	308.381	4.562	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/c1c(OC)ccc2ccccc12	726184916	ZONIHGMDIWQUCI-FOWTUZBSSA-N	307.393	4.761	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C/C=C/c3ccc(F)cc3F)[nH]c12	758061898	FEZSUIMZOMGJQJ-YLTNESKFSA-N	321.330	4.770	50	20	DJGD	
N#C/C(=C\c1ccc2occc2c1)C(=O)c1cccc(Cl)c1	794688374	YRAKXIDVPLZMSB-OQLLNIDSSA-N	307.736	4.876	50	20	DJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccc3ncccc3c2)cc1C	794964690	HJQXOVSRHPUZSM-ODLFYWEKSA-N	312.372	4.642	50	20	DJGD	
N#C/C(=C/c1cccc(OC(F)F)c1)c1nc(C2CC2)cs1	843265538	OCUYIAJOKVARGX-SDQBBNPISA-N	318.348	4.686	50	20	DJGD	
CCc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(F)ccc23)cc1	915990200	JNYRUAKSDMBSRZ-DHDCSXOGSA-N	318.351	4.659	50	20	DJGD	
Cc1cc(C)c(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c(C)c1	916141148	BMCFLYVIUCESJR-WQRHYEAKSA-N	318.420	4.774	50	20	DJGD	
CC(=NNC(=O)c1cc2c(s1)CC[C@@H](C)C2)C1CCCCC1	916353210	DONFQVZXFWKLEY-GFCCVEGCSA-N	318.486	4.559	50	20	DJGD	
CC(C)=CCC/C(C)=C\C=NNC(=O)c1ccccc1Cl	1317699725	XIYZSZBETHLRIE-QUVZVDGRSA-N	304.821	4.748	50	20	DJGD	
C=CCCC[C@H](C)NC(=O)CCCC[C@@H]1CCSS1	182595797	SKAPOVPIMAHTKU-UONOGXRCSA-N	301.521	4.562	50	20	DJGD	
CCC[C@H](C)C(=O)NNc1c(Cl)cc(Cl)cc1Cl	301192268	AMPFBBXKXHYIHS-ZETCQYMHSA-N	309.624	4.526	50	20	DJGD	
Cc1ccc(F)c(/C=C(/C#N)C(=O)c2c[nH]c3cc(C)ccc23)c1	303673228	PRGKWYFDEYRQLY-DHDCSXOGSA-N	318.351	4.714	50	20	DJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1cccc(F)c1F	730733314	WWLHLFDVMWGPOR-UKTHLTGXSA-N	322.314	4.544	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(C(F)(F)F)s2)cc1	761385337	LRLDILBETMWORE-WQLSENKSSA-N	321.323	4.865	50	20	DJGD	
C[C@H](CBr)CN[C@H](C)c1cccc2ccccc12	770665004	BDWBRBYRLRMMFW-CHWSQXEVSA-N	306.247	4.521	50	20	DJGD	
CSc1cc(/C(C#N)=C\c2ccc(C(C)(C)C)cc2)ncn1	773175860	HZJRYYXLIGVQNU-ZROIWOOFSA-N	309.438	4.560	50	20	DJGD	
CCCc1cc(O)nc(/C(=C\c2cccc(CCl)c2)CC)n1	799892764	OZRSQWDKMTXDEN-GDNBJRDFSA-N	316.832	4.824	50	20	DJGD	
O=C(CCCC[C@H]1CCSS1)NCCC1CCCCC1	914765733	OSMJJTXWXIQEDX-HNNXBMFYSA-N	315.548	4.787	50	20	DJGD	
CCOC(=O)[C@@H](C)Nc1cccc(S(F)(F)(F)(F)F)c1	185558676	QSZNFRCQWXJUAL-MRVPVSSYSA-N	319.295	4.708	50	20	DJGD	
CCCN(N=C1CCC[C@@H](C(F)(F)F)C1)C(=O)OC(C)(C)C	497044202	GRMVKJXLLZGBLD-LLVKDONJSA-N	322.371	4.742	50	20	DJGD	
N#C/C(=C\c1cc(F)cc(Cl)c1)C(=O)c1cc(F)cc(F)c1	772179417	OOWBRJDITMNCBS-QQDOKKFESA-N	321.685	4.547	50	20	DJGD	
N#C/C(=C/C=C/c1ccc(F)cc1F)c1cnc2ccccc2n1	790227933	MBDCEESWYOVEHL-WLXMHCNISA-N	319.314	4.528	50	20	DJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccc(C)c(F)c2)c(C)c1	255909491	JTUJEMWZTLVRDN-RQZCQDPDSA-N	322.383	4.605	50	20	DJGD	
C/C(=C/C(=O)NNc1cc(C)cc(C)c1)c1cccc(Cl)c1	748380785	SUGJALXDKOFBOA-UVTDQMKNSA-N	314.816	4.503	50	20	DJGD	
Cc1cc(C)cc(/C=C(/C#N)C(=O)Nc2c(C)cc(C)cc2C)c1	921259136	IRDWJQNAUUELDD-ODLFYWEKSA-N	318.420	4.774	50	20	DJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccc(C)s2)c(C)c1	8508925	BBLQWVIVYSRTAF-DHDCSXOGSA-N	310.422	4.527	50	20	DJGD	
Cc1ccsc1/C=C(/C#N)C(=O)Nc1cccc2ccccc12	59133184	MTEAXYFNZQWSMZ-PTNGSMBKSA-N	318.401	4.755	50	20	DJGD	
Cc1nc(CNc2cccc(S(F)(F)(F)(F)F)c2)no1	186149931	YAHGWJSLDOWYMD-UHFFFAOYSA-N	315.267	4.648	50	20	DJGD	
CCO[C@H](C)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	191947665	KICKFSOJJAIWHI-MRVPVSSYSA-N	319.295	4.708	50	20	DJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3ccc(F)c(C)c3)c[nH]c2c1	729151647	ZIGBBIVLSOLGPA-DHDCSXOGSA-N	318.351	4.714	50	20	DJGD	
C[C@@H]1CCC[C@H](CNC(=O)CCCC[C@@H]2CCSS2)C1	919829708	UBCLPQGYJOPNDA-QLFBSQMISA-N	315.548	4.643	50	20	DJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2cccc(F)c2F)cc1	78561132	WEJQRZCTDRGDKO-WJDWOHSUSA-N	311.331	4.707	50	20	DJGD	
COc1ccc(/C=C(\C#N)C(=O)c2sccc2C)cc1Cl	172691833	OGRFQGMIQVROBF-KPKJPENVSA-N	317.797	4.508	50	20	DJGD	
N#C/C(=C/c1ccc2cnccc2c1)C(=O)c1cccc(Cl)c1	780004342	LQAOCOSTCXBKOQ-MFOYZWKCSA-N	318.763	4.678	50	20	DJGD	
CN(C)c1ccc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)cc1	797398754	KLGDVQNBCAIQTA-UVTDQMKNSA-N	311.454	4.571	50	20	DJGD	
N#C/C(=C\c1ccccc1Cl)C(=O)Nc1ccccc1Cl	3570427	OSIHOQKPGKXCCT-FMIVXFBMSA-N	317.175	4.539	50	20	DJGD	
CCn1c2ccccc2c2cc(/C=C(\C#N)C(=O)C(C)C)ccc21	208114361	IMPYZEWGUIEVCA-LFIBNONCSA-N	316.404	4.946	50	20	DJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cc2cccc(C)c2nc1Cl	726595049	STVMDTJJVLAPOX-BTAWCLGRSA-N	312.800	4.719	50	20	DJGD	
CCCC(=NNC(=O)c1cc(Cl)ccc1O)C1CCCCC1	727777166	KONYORSKGMUXEC-UHFFFAOYSA-N	322.836	4.512	50	20	DJGD	
CN(C(=O)/C(C#N)=C/c1csc2ccccc12)C1CCCCC1	732716780	ZJGAIPBVFZZAPL-SDNWHVSQSA-N	324.449	4.599	50	20	DJGD	
N#C/C(=C/C=C/c1ccc(F)cc1F)C(=O)C1CCCCC1	758062071	GOYQAXVADDGPKE-GVEAZFNLSA-N	301.336	4.577	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2ccsc2Cl)c1C	790101408	YHUWSINKKAMUPY-MDWZMJQESA-N	301.798	4.808	50	20	DJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2ccc(OCC)cc2)cc1	915852005	HWYZIXZQCCPINP-XMHGGMMESA-N	319.404	4.828	50	20	DJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C/c2cc(C#N)cs2)cc1	255880110	RIXVZFGLZRAAAM-OQLLNIDSSA-N	320.417	4.707	50	20	DJGD	
Cc1nc(/C(C#N)=C/c2ccc(OCC(C)C)cc2)sc1C	741473428	ILANMOKGEIIRHC-CXUHLZMHSA-N	312.438	4.859	50	20	DJGD	
CC1CCC(C)(NC(=O)CCCC[C@@H]2CCSS2)CC1	749869871	QDSRDXNVGOJPGF-NPCAHTBFSA-N	315.548	4.786	50	20	DJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cc(C(F)(F)F)ccc1Cl	753682134	CZTNPQHZUHBZBU-NJQKBMNKSA-N	315.722	4.881	50	20	DJGD	
CCc1oc2ccccc2c1/C=C(\C#N)c1cc(SC)ncn1	773175543	FRRAPGHFZRGQHC-XYOKQWHBSA-N	321.405	4.571	50	20	DJGD	
Cc1ccc(F)c(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)c1	812249197	XDDMJZBKOYPSHM-GHXNOFRVSA-N	306.262	4.612	50	20	DJGD	
Cc1ccc(NNC(=O)c2ccc(C3CCCCC3)cc2)cc1	916555461	BFXXZPJRLNUUIQ-UHFFFAOYSA-N	308.425	4.800	50	20	DJGD	
CCCCC1CCC(C(=O)/C(C#N)=C/c2scnc2C)CC1	742435586	YUURCDYNSNUFPI-MHWRWJLKSA-N	316.470	4.924	50	20	DJGD	
CCC(=NNC(=O)c1cc2ccccc2cc1O)C1CCCCC1	750917059	XXGSCIKAYGPJMV-UHFFFAOYSA-N	324.424	4.622	50	20	DJGD	
Cc1cc(/C=C(\C#N)c2nc3cc(F)ccc3s2)ccc1C#N	766291475	ZLRBGKQWFAKFSC-VGOFMYFVSA-N	319.364	4.680	50	20	DJGD	
C/C(=C\C(=O)NNc1ccc(C(C)(C)C)cc1)c1ccccc1	780806418	PTJKYYHJACVLFB-CCEZHUSRSA-N	308.425	4.531	50	20	DJGD	
CC[C@H](C)C[C@@H](C)NC(=O)CCCC[C@@H]1CCSS1	742720139	QNMBZDCWUZDYNB-BFHYXJOUSA-N	303.537	4.641	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc(F)cc(C(F)(F)F)c1	772798996	YWXWPGVOJIZYIK-LFYBBSHMSA-N	313.294	4.757	50	20	DJGD	
N#C/C(=C\c1csc2ccccc12)C(=O)Nc1ccc(F)cc1	810194675	HFEKRLRMLDZXIM-FMIVXFBMSA-N	322.364	4.586	50	20	DJGD	
CC[C@H](C=NNC(=O)c1cccc2ccccc12)c1ccccc1	814854832	ZZMGKFJLNBHCPW-MRXNPFEDSA-N	316.404	4.749	50	20	DJGD	
Cc1ccnc2[nH]c(/C(C#N)=C/c3ccc(C4CCC4)cc3)nc12	834429903	AAXUKDPHLYIIPA-GZTJUZNOSA-N	314.392	4.598	50	20	DJGD	
COc1ccc2ccccc2c1/C=C(/C#N)C(=O)c1ccccc1	6647299	SBSCKRJLLNZSDV-LGMDPLHJSA-N	313.356	4.638	50	20	DJGD	
C=CCCCC(=O)Nc1c(CC)cc(SC#N)cc1CC	175632552	OERZMPPTIFPUEB-UHFFFAOYSA-N	302.443	4.679	50	20	DJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)c1ccccn1	180331205	AYVRJATYNMHBNU-UHFFFAOYSA-N	324.274	4.991	50	20	DJGD	
N#C/C(=C\c1csc2ccccc12)c1ccc([N+](=O)[O-])cc1	217576672	CLEZKGXJLANDEQ-UKTHLTGXSA-N	306.346	4.874	50	20	DJGD	
Cc1cc(C)c(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)cc1C	915851528	OTGFKHGKMYBMQZ-YVLHZVERSA-N	314.388	4.883	50	20	DJGD	
CCCCOc1ccc(/C=C(\C#N)C(=O)c2ccccc2C)cc1	1317700857	VAXSICBBUIEASG-NBVRZTHBSA-N	319.404	4.964	50	20	DJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1cc2ccccc2s1	1323800927	KPFPRXVSLOZEQL-PTNGSMBKSA-N	303.386	5.000	50	20	DJGD	
COc1cccc(C(=O)/C(C#N)=C\c2ccc3ccccc3c2)c1	72120184	YJVBMSVMNRSSSL-UNOMPAQXSA-N	313.356	4.638	50	20	DJGD	
C#CCCOc1ccc(/C=C(\C#N)c2nc(C(C)C)cs2)cc1	255777868	YHCCKSJTHIAXHI-LFIBNONCSA-N	322.433	4.733	50	20	DJGD	
Cc1ccc2c(c1)N(C(=O)CCCC[C@H]1CCSS1)CC2	746882921	NQSGWCGKXPRAGY-HNNXBMFYSA-N	321.511	4.598	50	20	DJGD	
CC(C)=CCC/C(C)=C\C=NNC(=O)c1cccc2cccnc12	747356090	MCZPVGUIYLWRPA-RODMOWRHSA-N	321.424	4.643	50	20	DJGD	
Cc1cccc2cc(C(=O)NNc3cccc(Cl)c3)sc12	809577310	XPZLGXLGIYKYQP-UHFFFAOYSA-N	316.813	4.620	50	20	DJGD	
CCCNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	181776235	CZWRBDHYUVYXIR-UHFFFAOYSA-N	304.284	4.876	50	20	DJGD	
CCc1ccc(NC(=O)CCCC[C@@H]2CCSS2)cc1	302690460	REWKBEWIZJCIFT-OAHLLOKOSA-N	309.500	4.902	50	20	DJGD	
Cc1cccc(NC(=O)/C(C#N)=C/C=C\c2ccc(F)cc2)c1C	747695988	OIUQNFVJBSXTAS-KFKUOEFMSA-N	320.367	4.544	50	20	DJGD	
Cc1cc(/C(C#N)=C/c2ccc(F)c(Cl)c2)ccc1[N+](=O)[O-]	774560494	ZCESJNBNFYCNAO-NTUHNPAUSA-N	316.719	4.760	50	20	DJGD	
Cc1cc(/C=C(/C#N)C(=O)c2sccc2C)ccc1Cl	779704596	SKRRKGJGJAWCNP-JYRVWZFOSA-N	301.798	4.808	50	20	DJGD	
CC(C)Oc1cccc(/C=C(\C#N)c2nc(C3CC3)cs2)c1	843264980	LJQUSIYEQWMNLC-OVCLIPMQSA-N	310.422	4.872	50	20	DJGD	
Cc1c(/C=C(/C#N)c2nc(C(C)C)cs2)cccc1[N+](=O)[O-]	871599538	SIXJHHRYISLRRE-QPEQYQDCSA-N	313.382	4.547	50	20	DJGD	
O=C(CCCC[C@@H]1CCSS1)NCCC1CCCCC1	914765734	OSMJJTXWXIQEDX-OAHLLOKOSA-N	315.548	4.787	50	20	DJGD	
N#C/C(=C/c1ccccc1Cl)C(=O)c1c[nH]c2cc(F)ccc12	915990011	HUGPZAILHDMZFY-GHXNOFRVSA-N	324.742	4.750	50	20	DJGD	
N#C/C(=C\c1ccccc1F)C(=O)Nc1cccc2ccccc12	16412185	ILMLXIMJYGCKTJ-FOWTUZBSSA-N	316.335	4.525	50	20	DJGD	
Cc1nc(/C(C#N)=C/c2cccc(Br)c2)sc1C	741475226	WJDPASFCETWZSY-WUXMJOGZSA-N	319.227	4.587	50	20	DJGD	
CC[C@H](C)C[C@H](C)NC(=O)CCCC[C@@H]1CCSS1	742720141	QNMBZDCWUZDYNB-MELADBBJSA-N	303.537	4.641	50	20	DJGD	
Cc1cc(C)c(NNC(=O)c2ccc3sccc3c2)c(C)c1	761572285	LZXQVDGUVDZPSH-UHFFFAOYSA-N	310.422	4.583	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1ccc(C(F)F)cc1	794874685	IENNAJZDKDRWRG-MDWZMJQESA-N	303.333	4.784	50	20	DJGD	
CC(C)=CCC[C@H](C)CC=NNC(=O)c1ccccc1Cl	1317704620	XTBAVDPVRUIBDP-AWEZNQCLSA-N	306.837	4.828	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(-c2ccccc2F)o1	726118156	JMWPSEMITJLTJR-SDNWHVSQSA-N	311.356	4.998	50	20	DJGD	
N#C/C(=C/c1cc(Br)ccc1Cl)c1ccccn1	128672556	HFIGBWQYJWPCRR-XFFZJAGNSA-N	319.589	4.562	50	20	DJGD	
CCOc1ccccc1/C=C(/C#N)C(=O)c1ccc(Cl)s1	588424586	NUJOVDWGORVJNU-XFXZXTDPSA-N	317.797	4.590	50	20	DJGD	
Cc1ccsc1/C=C(\C#N)c1nc2cc(F)ccc2s1	730148258	DCTZYDCPQUZJLO-UXBLZVDNSA-N	300.383	4.870	50	20	DJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccc(Cl)cc2F)c(C)c1	773153228	BIKWAMMFYZKLOC-ZSOIEALJSA-N	313.759	4.886	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)Cc1ccc(Cl)s1	794952506	IYFBSLJDHWBXAW-UHFFFAOYSA-N	322.861	4.519	50	20	DJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc(Cl)cc1	49073240	UXAMJUOMGOKVOH-CYBMUJFWSA-N	315.891	4.993	50	20	DJGD	
Cc1cc(F)ccc1/C=C(/C#N)c1nc(-c2ccncc2)cs1	131147853	JDVHRTHXMHRWDB-DHDCSXOGSA-N	321.380	4.717	50	20	DJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2c(C)cccc2C)c(C)c1	755573699	ZQJFVXDZSOUIRT-WOJGMQOQSA-N	318.420	4.774	50	20	DJGD	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)c3ccoc3)o2)cc1	806557662	WEOPOIMMFDIEHX-MHWRWJLKSA-N	303.317	4.638	50	20	DJGD	
COc1cccc2cc(/C=C(/C#N)C(=O)c3ccc(C)s3)oc12	729820748	XTPPTEPOEUUIAK-LCYFTJDESA-N	323.373	4.601	50	20	DJGD	
CCCCc1ccc([C@@H](NC=C(C#N)C#N)c2cccs2)cc1	747838348	VLKZIMVQUUNBHA-LJQANCHMSA-N	321.449	4.701	50	20	DJGD	
N#C/C(=C/c1ccccc1C1CC1)C(=O)c1c[nH]c2ccccc12	750818485	VDOAGKHLWRQKFQ-WJDWOHSUSA-N	312.372	4.835	50	20	DJGD	
CC(C)C(=O)/C(C#N)=C\c1ccc(OCc2ccc(F)cc2)cc1	764417150	MOEOQIRCHMJWSU-BOPFTXTBSA-N	323.367	4.537	50	20	DJGD	
Cc1cccc2cc(C(=O)NNc3ccc(C(C)(C)C)cc3)oc12	780809657	XFVJNCRBMOZVEI-UHFFFAOYSA-N	322.408	4.796	50	20	DJGD	
C/C(=C\C(=O)NNc1cc(Cl)cc(Cl)c1)c1ccccc1	791726413	HHUFLOWCXMDBRS-YRNVUSSQSA-N	321.207	4.540	50	20	DJGD	
C#CCOc1ccccc1/C=C(\C#N)c1ncc(C(C)(C)C)s1	797398633	JHAVQRLCALBYDV-RVDMUPIBSA-N	322.433	4.517	50	20	DJGD	
C/C(=C\c1ccc(Cl)cc1)C(=O)NNc1ccc(Cl)cc1	810683153	ADOCXAUZMPEMAW-ZHACJKMWSA-N	321.207	4.540	50	20	DJGD	
CCOc1cccc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)c1	812246923	WSEUNFCXILUXCF-MDWZMJQESA-N	318.298	4.563	50	20	DJGD	
CC(C)c1ncc(/C=C(/C#N)c2nc(C3CC3)cs2)s1	843266336	UQEWJQDGIPCLSU-WZUFQYTHSA-N	301.440	4.665	50	20	DJGD	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1ccco1	16882504	NYFHXBCYIFAQEM-JLHYYAGUSA-N	323.735	4.983	50	20	DJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cl)c(C)c1	36615635	PNZJSXJDEWZCOK-XNTDXEJSSA-N	310.784	4.503	50	20	DJGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1csc(-c2ccsc2)n1	63278877	ROVGUZCCZAIXDJ-SDQBBNPISA-N	316.451	4.784	50	20	DJGD	
C=C(CBr)CN[C@@H](C)c1cc(Cl)ccc1Cl	309582165	QRDAJCSZRDTRMR-VIFPVBQESA-N	323.061	4.595	50	20	DJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cccc(OCc2ccccc2)c1	726427968	CAOUMFVJFBLBRK-JJBLJPBOSA-N	319.404	4.788	50	20	DJGD	
N#C/C(=C\c1cc(Cl)ccc1F)C(=O)c1cc(F)cc(F)c1	772177742	ZFLPSDTYCMWHAB-QDEBKDIKSA-N	321.685	4.547	50	20	DJGD	
CSc1cc(/C(C#N)=C/c2c(Cl)cccc2Cl)ncn1	773175714	HDJZEOXCHDOPMI-WEVVVXLNSA-N	322.220	4.569	50	20	DJGD	
Cc1cc(/C(C#N)=C\c2ccc(Cl)s2)ccc1[N+](=O)[O-]	774558477	KPJLCHDHEZPSBH-XFFZJAGNSA-N	304.758	4.682	50	20	DJGD	
CSc1ccc(C)c(NC(=O)NNc2ccccc2Cl)c1	776028356	NMGZCYJZSWVXQC-UHFFFAOYSA-N	321.833	4.519	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@@H](C)c1cccc(F)c1	812765150	XRCBZNZKINDEHP-AWEZNQCLSA-N	314.404	4.504	50	20	DJGD	
CCCCOc1ccc(/C=C(\C#N)C(=O)c2ccsc2)cc1	915989322	DLSNSDATLGOHJI-LFIBNONCSA-N	311.406	4.717	50	20	DJGD	
CC[C@@](C)(O)CNCc1cccc(S(F)(F)(F)(F)F)c1	921703907	CVPSBXPJLSMLIE-GFCCVEGCSA-N	319.339	4.595	50	20	DJGD	
C[C@H](CF)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	287304973	WMYLCBBNRONMGD-SSDOTTSWSA-N	322.274	4.824	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc(C)c(C)cc1OC(F)F	742434650	MBONSUGABLTCPP-ZRRZQRFHSA-N	321.367	4.817	50	20	DJGD	
N#C/C(=C\c1cc(Cl)cs1)C(=O)c1cccc(Cl)c1	780006294	YMUSGBBRRVBBCB-BJMVGYQFSA-N	308.189	4.845	50	20	DJGD	
CC(=C/c1ccccc1C(F)(F)F)/C=C(/C#N)C(=O)C(C)C	799890943	FRZYIKLVFPRWEV-RXAUVDRZSA-N	307.315	4.784	50	20	DJGD	
CCCCC[C@H](C)NC(=O)CCCC[C@@H]1CCSS1	849367565	AVHFHWGJIIAALO-UONOGXRCSA-N	303.537	4.786	50	20	DJGD	
CCc1oc2ccccc2c1/C=C(\C#N)C(=O)c1ccsc1	915989923	SSFLGROYLCMALQ-UKTHLTGXSA-N	307.374	4.847	50	20	DJGD	
O=C(CC1CC1)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	918558854	JEUIWSKMVPTOKV-GFCCVEGCSA-N	323.767	4.645	50	20	DJGD	
Cc1ccc(/C=C(\C#N)c2nc(-c3ccncc3)cs2)c(C)c1	141740531	VOKHZSCNOFNDIF-LICLKQGHSA-N	317.417	4.886	50	20	DJGD	
CCCn1nc(C)c(/C=C(/C#N)c2nc(C(C)C)cs2)c1C	160722639	XRNOOFGEVNNBSO-ZSOIEALJSA-N	314.458	4.554	50	20	DJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(C)cc2)c1C	212096977	HEBOWRQXACSXFW-PDGQHHTCSA-N	306.409	4.613	50	20	DJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cc(Cl)cc(Cl)c1OC	726428226	HTRDQQNEXSSOMP-JTTRITNRSA-N	312.196	4.524	50	20	DJGD	
Cc1ccc(F)c(/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)c1	734980174	GLHWTKCWCQEXMX-GDNBJRDFSA-N	318.351	4.714	50	20	DJGD	
C/C(=C\C(=O)NNc1ccc(Cl)cc1Cl)c1ccccc1	748008181	POUUGMRKDZXDES-PKNBQFBNSA-N	321.207	4.540	50	20	DJGD	
N#C/C(=C/c1csc(Cl)c1Cl)C(=O)c1ccccc1	761377134	QLDIQOGFTQCIEN-POHAHGRESA-N	308.189	4.845	50	20	DJGD	
Cc1cc(/C=C(\C#N)C(=O)c2c(Cl)cccc2Cl)c(C)o1	767886794	LQKKZTFZURQWJZ-KPKJPENVSA-N	320.175	4.993	50	20	DJGD	
N#C/C(=C/c1csc(C2CC2)n1)C(=O)c1ccc(Cl)s1	783687042	DFYJRWWPDQWYGI-UITAMQMPSA-N	320.826	4.525	50	20	DJGD	
CCCN(N=C(C)CSC(C)(C)C)C(=O)OC(C)(C)C	794997570	YRBBXAVJWXJABT-UHFFFAOYSA-N	302.484	4.541	50	20	DJGD	
Cc1cc(F)ccc1-c1ccc(/C=C(\C#N)c2ccccn2)o1	172043403	QDBDWGAZFAGXSX-SDNWHVSQSA-N	304.324	4.853	50	20	DJGD	
COCc1ccc(/C=C(\C#N)C(=O)c2ccc(C(C)(C)C)cc2)o1	764412780	UXUBCVBPGBATEO-RVDMUPIBSA-N	323.392	4.513	50	20	DJGD	
N#C/C(=C\c1ccc2cnccc2c1)C(=O)c1c[nH]c2ccccc12	779798822	NWHIEARQOPTYMK-LICLKQGHSA-N	323.355	4.506	50	20	DJGD	
COc1ccc(/C=C(/C#N)C(=O)c2sccc2C)cc1Cl	125345573	OGRFQGMIQVROBF-GHXNOFRVSA-N	317.797	4.508	50	20	DJGD	
N#C/C(=C\c1cccc(CCl)c1)C(=O)c1ccc(Cl)s1	799892297	NJVFSXDLNUQCAM-KPKJPENVSA-N	322.216	4.930	50	20	DJGD	
COCc1ccccc1/C=C(C)/C=C(\C#N)C(=O)c1ccsc1	814188983	ZVMBXWZCZMKFBL-FCJXZZIYSA-N	323.417	4.631	50	20	DJGD	
CC/C(C)=C\C(=O)Nc1c(CC)cc(SC#N)cc1CC	839236855	XZZFFPVNDFAAQN-WQLSENKSSA-N	302.443	4.679	50	20	DJGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccc(SC(F)F)cc1	180432460	XAPKUGFEKJPNDL-WQLSENKSSA-N	319.332	4.693	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(C(F)(F)F)cc2)s1	729824176	YUCWZMWPHVPGDB-XYOKQWHBSA-N	321.323	4.865	50	20	DJGD	
C[C@@H](CBr)CN[C@H](C)c1cc2ccccc2s1	770668375	MDWLZXVRSZWAKC-WDEREUQCSA-N	312.276	4.583	50	20	DJGD	
CSc1cccc(NC(=O)NNc2cccc(Cl)c2)c1C	775711024	BNBSFUOSZXATAO-UHFFFAOYSA-N	321.833	4.519	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C/c3ccc(C(F)F)cc3)[nH]c12	794875613	SBOYEAHHCVQPTE-NTEUORMPSA-N	309.319	4.873	50	20	DJGD	
N#C/C(=C\c1cscc1Cl)c1cc(C(F)(F)F)ccn1	812246214	GKYZDGAFZWKFBV-FPYGCLRLSA-N	314.719	4.879	50	20	DJGD	
CCCCc1oc2ccccc2c1C=NNC(=O)c1ccccc1	917213169	WZQULXFBPAPFCC-UHFFFAOYSA-N	320.392	4.539	50	20	DJGD	
N#C/C(=C/c1ccc(Cl)nc1)c1nc(-c2ccccc2)cs1	749000381	XXTUEWPYZCIYMH-ZSOIEALJSA-N	323.808	4.923	50	20	DJGD	
O=C(CCCC(F)(F)F)NN(c1ccccc1)c1ccccc1	770638783	ZXRHFMKARUXUKS-UHFFFAOYSA-N	322.330	4.589	50	20	DJGD	
CCc1cccc(C)c1NNC(=O)c1occc1-c1ccccc1	799756441	BEGZDBXYRRZDSH-UHFFFAOYSA-N	320.392	4.574	50	20	DJGD	
N#C/C(=C\c1ccc2c(c1)CCC2)C(=O)c1cccc(Cl)c1	1318751158	CGIRMFUAFNNYEU-LICLKQGHSA-N	307.780	4.619	50	20	DJGD	
N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1	16411092	MKFKRRKPCJBNMS-XYOKQWHBSA-N	317.175	4.539	50	20	DJGD	
CC(=NNC(=O)c1c(Cl)cccc1Cl)C1CCCCC1	727781773	WWQAXRQNMFLNGX-UHFFFAOYSA-N	313.228	4.679	50	20	DJGD	
CSc1ccc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)cc1	735617195	UBZFBLTVIRFUAT-UVTDQMKNSA-N	305.406	4.657	50	20	DJGD	
CC(C)(C)C1CCC(=NNC(=O)c2cc3ccccc3o2)CC1	749817600	LAOHWLVZPNGAOH-UHFFFAOYSA-N	312.413	4.755	50	20	DJGD	
N#C/C(=C\c1ccccc1C(F)(F)F)C(=O)C1CCCCC1	767711897	AGEUQEKPMCALQE-GXDHUFHOSA-N	307.315	4.762	50	20	DJGD	
N#C/C(=C\c1ccc(F)cc1F)C(=O)c1ccc(F)c(Cl)c1	773144801	MSSNPFMVXRKEDZ-VZUCSPMQSA-N	321.685	4.547	50	20	DJGD	
O=C(CCc1ccc2ccccc2c1)NNc1cccc(Cl)c1	917410890	WKTOMKWDRRGSGS-UHFFFAOYSA-N	324.811	4.569	50	20	DJGD	
CC[C@@H](Cl)c1nc(O)c2c(-c3ccc(F)cc3)csc2n1	43554257	KLCJJBPIXFYDAM-LLVKDONJSA-N	322.792	4.893	50	20	DJGD	
Cc1csc(/C(C#N)=C\c2cccc(OC3CCCC3)c2)n1	55038429	YKYAETQHQVHOPA-DHDCSXOGSA-N	310.422	4.837	50	20	DJGD	
CCCOc1cccc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)c1	735618762	FRNRIZBMPAOBGF-LFIBNONCSA-N	317.392	4.724	50	20	DJGD	
C[C@@H]1CCN(C(=O)CCCC[C@H]2CCSS2)CC1(C)C	759307527	KLPGIMZTWXGDKR-KGLIPLIRSA-N	315.548	4.595	50	20	DJGD	
N#C/C(=C\c1cccc(Cl)c1)C(=O)c1ccc(Cl)s1	783687767	PYFXMYCKEINUND-UXBLZVDNSA-N	308.189	4.845	50	20	DJGD	
CCCN(N=C1CC[C@@H]1c1ccccc1)C(=O)OC(C)(C)C	794997447	RSHFRNDCZMDEHJ-OAHLLOKOSA-N	302.418	4.567	50	20	DJGD	
N#C/C(=C/c1ccc(O)c(Cl)c1)c1ccc2ccccc2n1	921269979	QKNRNQCTOOLARJ-ZROIWOOFSA-N	306.752	4.658	50	20	DJGD	
Cc1ccc(C)c(/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)c1	213150854	VHUWQXJSNJUVTR-BOPFTXTBSA-N	314.388	4.883	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C/c2nccc3ccccc23)n1	747436955	NVCVLBOUKUORKO-NTEUORMPSA-N	305.406	4.879	50	20	DJGD	
CC(C)C[C@@H]1CCN(C(=O)CCCC[C@@H]2CCSS2)C1	744639667	ZYJSYFNTSGDJNO-LSDHHAIUSA-N	315.548	4.595	50	20	DJGD	
N#C/C(=C\c1ccc2ncccc2c1)c1ccc2ccccc2n1	917146707	UOJAYBKGQUUVSS-QGOAFFKASA-N	307.356	4.847	50	20	DJGD	
Cc1ccc([C@@H](C)NC(=O)CCCC[C@H]2CCSS2)cc1	105850767	AJGZCRKRAHGRSB-ZBFHGGJFSA-N	323.527	4.886	50	20	DJGD	
Cc1ccc(NNC(=O)c2ccccc2Oc2ccccc2)cc1	120466181	PDJPJOLUBXFCSC-UHFFFAOYSA-N	318.376	4.544	50	20	DJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3cccc(C)c3C)n2)cc1	731211009	IDKBZYPCWHILGR-WQRHYEAKSA-N	315.376	4.726	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(C(F)(F)F)s1	761387356	VFBSVHICWQHIAZ-JXMROGBWSA-N	301.333	4.679	50	20	DJGD	
CCCOc1ccc(/C=C(/C#N)C(=O)c2ccc(C)cc2)cc1	764886189	MRGIFZREVNIMIA-AQTBWJFISA-N	305.377	4.574	50	20	DJGD	
Cc1cccc(/C=C(/C#N)c2nc(C)c(C)s2)c1OC(F)F	777917537	BTLHLEGHUPLVRK-QPEQYQDCSA-N	320.364	4.734	50	20	DJGD	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(-c2cccc(F)c2F)o1	790101816	STVALHGBSCNGSD-PKNBQFBNSA-N	315.319	4.747	50	20	DJGD	
Cn1c(/C(C#N)=C/c2ccc(C(F)F)cc2)nc2ccccc21	794870622	WRUSYZNEUOIHIK-GXDHUFHOSA-N	309.319	4.575	50	20	DJGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccc(-c2ccccc2F)o1	8238436	VIDGPUBBQHXZJU-JLHYYAGUSA-N	321.307	4.777	50	20	DJGD	
CC(C)C(=O)/C(C#N)=C/c1ccc(-c2nc3ccccc3s2)o1	44027155	NRVYFVDOOLYLKZ-FMIVXFBMSA-N	322.389	4.688	50	20	DJGD	
CC(C)Sc1ccc(C(=O)NNc2cccc(Cl)c2)cc1	51322281	DXNLKQZMELCNAC-UHFFFAOYSA-N	320.845	4.597	50	20	DJGD	
CC(C)c1ccc(-c2nc(CN3CC=C(C#N)CC3)cs2)cc1	272643435	LXWQIKJBBTXNHY-UHFFFAOYSA-N	323.465	4.589	50	20	DJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C/c2ccc(Cl)nc2)cc1	748998448	LOXJEDNJYVKZTB-XNTDXEJSSA-N	324.811	4.822	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1csc(Cl)c1Cl	761480244	QOISSBKXPXQLGW-CPJBWDMUSA-N	302.226	4.967	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C\c3ccc(C(F)F)cc3)[nH]c12	794875614	SBOYEAHHCVQPTE-ZROIWOOFSA-N	309.319	4.873	50	20	DJGD	
N#C/C(=C/c1cccc(Cl)c1Cl)C(=O)c1ccsc1	915989290	BYARGXXXWRTQNE-WDZFZDKYSA-N	308.189	4.845	50	20	DJGD	
Cc1cc(/C=C(\C#N)C(=O)c2ccsc2)c(C)n1CC(C)C	917621759	DFDYGTMEPSTUKU-CAOOACKPSA-N	312.438	4.612	50	20	DJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C/c2ccsc2)cc1	6209604	YFAYUKCRRYSZSZ-LFIBNONCSA-N	310.422	4.636	50	20	DJGD	
O=C(NNc1ccccc1)c1cc2sc3ccccc3c2s1	67976948	LYZKBWZVOKHZHC-UHFFFAOYSA-N	324.430	4.873	50	20	DJGD	
Cc1ccc(/C=C(\C#N)c2nc(-c3ccncc3)cs2)s1	141739861	BAAQUTPKVNPCOI-MDWZMJQESA-N	309.419	4.639	50	20	DJGD	
Cc1cc(C)c(NNC(=O)[C@@H](C)c2ccc(Cl)s2)c(C)c1	750238257	GUIBYTHOQQCUKN-LBPRGKRZSA-N	322.861	4.574	50	20	DJGD	
N#C/C(=C/c1ccc(C(F)(F)F)s1)C(=O)C1CCCCC1	761383534	BWCWGPBVPFJALC-FLIBITNWSA-N	313.344	4.823	50	20	DJGD	
CC(C)(C)Sc1ccc(NC(=O)NNc2ccccc2)cc1	762239399	UFGARAQUFVFUSU-UHFFFAOYSA-N	315.442	4.726	50	20	DJGD	
N#C/C(=C/c1csc2ccccc12)C(=O)Nc1ccc(F)cc1	810194676	HFEKRLRMLDZXIM-XFXZXTDPSA-N	322.364	4.586	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/c1nc(-c2ccccc2)cs1	727975885	XPTWHNMMQMDPEX-XNTDXEJSSA-N	310.422	4.722	50	20	DJGD	
CC1CCC(C)(NC(=O)CCCC[C@H]2CCSS2)CC1	749869865	QDSRDXNVGOJPGF-BBBYJDLNSA-N	315.548	4.786	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(Cl)nc2Cl)s1	761477723	PBCCQWBPMKSANC-UXBLZVDNSA-N	323.204	4.548	50	20	DJGD	
N#C/C(=C/c1ccc(C(F)F)cc1)C(=O)c1c[nH]c2ccccc12	794870645	XIIOJSLVMIRVKO-ZROIWOOFSA-N	322.314	4.895	50	20	DJGD	
CCCOc1ccc(/C=C(/C#N)c2nc(C3CC3)cs2)cc1	843265602	OELKTGOKPJMEEN-GDNBJRDFSA-N	310.422	4.873	50	20	DJGD	
N#C/C(=C\c1ccc2ncccc2c1)C(=O)c1cc2ccccc2o1	916131143	OTBQRZAEPSGVAG-GZTJUZNOSA-N	324.339	4.771	50	20	DJGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccc(SC(F)F)cc1	588419374	XAPKUGFEKJPNDL-XYOKQWHBSA-N	319.332	4.693	50	20	DJGD	
Cc1nc(/C(C#N)=C\c2ccc(OCC(C)C)cc2)sc1C	741473429	ILANMOKGEIIRHC-SXGWCWSVSA-N	312.438	4.859	50	20	DJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1cc(F)cc(F)c1	755404046	JXKZCWUAWDMAPB-MLPAPPSSSA-N	322.314	4.544	50	20	DJGD	
CCc1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)no2)cc1	7212308	SPWVAEXXNCMCDL-LDADJPATSA-N	315.376	4.672	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2ccc(Cl)s2)c1C	727655607	YVDZDRAMEKVZDB-XYOKQWHBSA-N	301.798	4.808	50	20	DJGD	
CCn1c(C)cc(/C=C(\C#N)C(=O)c2cc3ccccc3o2)c1C	728287641	UQMJRSTZTSLQES-LICLKQGHSA-N	318.376	4.661	50	20	DJGD	
Cc1ccc(-c2csc(/C(C#N)=C/c3ccn(C)c3)n2)cc1	763277981	QZTZGKZQSDGXDG-CXUHLZMHSA-N	305.406	4.521	50	20	DJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1ccc(Cl)cc1)c1ccccc1	787144767	MVJUSRPNQHIAEU-XOQYZJNISA-N	324.811	4.514	50	20	DJGD	
COc1ccsc1/C=C(/C#N)c1ncc(C(C)(C)C)s1	797399252	QOFUWLPHFCXFEE-YFHOEESVSA-N	304.440	4.575	50	20	DJGD	
Cc1csc(/C(C#N)=C/C=C2/N(C)c3ccccc3C2(C)C)n1	212767640	KVOBSSYTHFXZJL-QWGLIZDWSA-N	321.449	4.670	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C/c3cc4cc(F)ccc4o3)[nH]c12	741840813	FFQHBCYPRUCQKL-UKTHLTGXSA-N	317.323	4.821	50	20	DJGD	
Cc1ccc2c(c1)CCN2C(=O)CCCC[C@H]1CCSS1	773381860	VZIZQADZNDZXPX-HNNXBMFYSA-N	321.511	4.598	50	20	DJGD	
CC[C@H](NCc1cccc(S(F)(F)(F)(F)F)c1)[C@@H](C)O	922157207	AQVQMHRDJULIFO-SKDRFNHKSA-N	319.339	4.593	50	20	DJGD	
N#C/C(=C\c1cc(Cl)ccc1Cl)C(=O)c1ccccc1F	753683104	MODOFSHVAGKDJS-YRNVUSSQSA-N	320.150	4.922	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cnc(C(C)C)s2)c1C	758419260	UTBMMYVGFZCOHZ-RIYZIHGNSA-N	310.422	4.673	50	20	DJGD	
N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)C1CCCCC1	767713810	MKYPUMIJEZPUSV-NTEUORMPSA-N	307.315	4.762	50	20	DJGD	
C=CCN(C)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	779453319	WBFBJJKQMYNFEG-UHFFFAOYSA-N	316.295	4.994	50	20	DJGD	
CC(C)[C@H]1CCCN(C(=O)CCCC[C@H]2CCSS2)C1	781096154	WUUHUIWZLZAXIM-GJZGRUSLSA-N	315.548	4.595	50	20	DJGD	
CC(C)C(C=NNC(=O)c1c(Cl)cccc1Cl)C(C)C	789004098	NVSKEJOTRFBDNJ-UHFFFAOYSA-N	315.244	4.637	50	20	DJGD	
Cc1cc(C)c(NNC(=O)c2ccc(F)c3ccccc23)c(C)c1	795143869	NVEGGRKUSGKYQF-UHFFFAOYSA-N	322.383	4.661	50	20	DJGD	
Cc1nc(/C(C#N)=C\c2cc(O)cc(C(F)(F)F)c2)sc1C	811691094	JIKFJGRDAVEPRU-JYOAFUTRSA-N	324.327	4.549	50	20	DJGD	
CSc1ccc(C)c(C(=O)NNc2ccc(C(C)C)cc2)c1	837055592	JWUIKJLQXBVETK-UHFFFAOYSA-N	314.454	4.597	50	20	DJGD	
Cc1cc(C)cc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)c1	921259437	SAYVHFYLOGWAPP-YBEGLDIGSA-N	300.361	4.575	50	20	DJGD	
CC[C@H](C#N)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	690180101	FGKGGKGAXBJWBX-MRVPVSSYSA-N	314.279	4.832	50	20	DJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3cccc(C)c3C)c[nH]c2c1	731159791	VYHVILYQVKEKLT-LICLKQGHSA-N	314.388	4.883	50	20	DJGD	
C[C@@H](CCC(=O)NNc1c(F)cccc1Cl)c1ccccc1	770197779	QAPKBFUIHIKBMY-LBPRGKRZSA-N	320.795	4.506	50	20	DJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccc(Cl)s2)c(C)c1	783686827	AISWKEAPGVRORL-MDWZMJQESA-N	301.798	4.808	50	20	DJGD	
CCc1cccc(C)c1NNC(=O)c1ccc(C)c(C)c1Cl	799759315	LWTJYUORNUKSFB-UHFFFAOYSA-N	316.832	4.585	50	20	DJGD	
Cc1cc(C)cc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)c1	921259333	OBFMLDAEBBOQNX-GZTJUZNOSA-N	314.388	4.883	50	20	DJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2csc(C3CC3)n2)cc1	63276773	JDNUIQJDYPXFDS-YBEGLDIGSA-N	322.433	4.763	50	20	DJGD	
N#C/C(=C/c1cccs1)c1nc(-c2ccc(C#N)cc2)cs1	66407914	GAPIPJXXRCXGFA-ZSOIEALJSA-N	319.414	4.807	50	20	DJGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1ccc(CSC(F)F)o1	125409452	YAYRUVBHNYVOIR-UXBLZVDNSA-N	313.369	4.648	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CCC(C)C	175622361	DVABGLXDXIZGLO-UHFFFAOYSA-N	304.459	4.759	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cc(C(F)(F)F)ccc1F	794874338	KPJKCEBQQARIRK-YRNVUSSQSA-N	313.294	4.757	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(F)c(F)cc2F)cc1C	809145583	AQWNMLZBCDSRIS-MKMNVTDBSA-N	315.294	4.511	50	20	DJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/C=C/c2ccccc2)c(C)c1	6209695	GLJVENMQSCIAGK-JAXWBCMNSA-N	316.404	4.714	50	20	DJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)cc1C	206955556	OQPZIOPIJOQMLC-YBEGLDIGSA-N	300.361	4.575	50	20	DJGD	
CSc1ccc(/C=C(/C#N)C(=O)c2cccc(C)c2C)cc1	727654659	HPSRQOGVOLZCBG-WJDWOHSUSA-N	307.418	4.815	50	20	DJGD	
C[C@@H]1CC[C@H](NC(=O)CCCC[C@@H]2CCSS2)[C@H](C)C1	733182200	QGQIYPIIIFJZED-TUVASFSCSA-N	315.548	4.641	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(-c2ccc(F)cc2)o1	741470057	PQLZCXYOQFMLBI-WDGDVPDHSA-N	311.356	4.998	50	20	DJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3occc3C)n2)cc1	742348643	BBLUVYFQNTVFJU-ZROIWOOFSA-N	322.389	4.784	50	20	DJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccc(Cl)s2)cc1C	783715276	UVEXETFDKRXAJH-MDWZMJQESA-N	301.798	4.808	50	20	DJGD	
Cc1cc(Cl)cc(C)c1/C=C(/C#N)c1cnc2ccccc2n1	790231008	IIFSBSFICRMFFM-ZROIWOOFSA-N	319.795	4.964	50	20	DJGD	
FS(F)(F)(F)(F)c1cccc(CNC2CCOCC2)c1	840892025	HKRDMAGRHRSCSZ-UHFFFAOYSA-N	317.323	4.613	50	20	DJGD	
Cc1cc(C)cc(NNC(=O)CCc2ccc3ccccc3c2)c1	917489194	PQPKKBMQAONXEV-UHFFFAOYSA-N	318.420	4.533	50	20	DJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	1317701291	IGSRTGVGUKZOGE-ODLFYWEKSA-N	320.436	4.859	50	20	DJGD	
Cc1csc(/C(C#N)=C/c2ccc(F)c(C(F)(F)F)c2)n1	158776755	UZXGKIGPTVQZKE-ONNFQVAWSA-N	312.291	4.674	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1cccc(OC(C)C)c1	194858461	VUTWIDDOGZTMOV-OQLLNIDSSA-N	311.406	4.634	50	20	DJGD	
CC(C)(C)c1ccccc1C(=O)NNc1c(F)cccc1Cl	770196942	ODLGNOPFSDWPHP-UHFFFAOYSA-N	320.795	4.534	50	20	DJGD	
CC(C)(C)CC(=O)NN=Cc1c(Cl)ccc(Cl)c1Cl	728429050	QPNKWFFIRMMBGA-UHFFFAOYSA-N	321.635	4.533	50	20	DJGD	
C=CCOc1cccc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)c1	735619638	OOAVFRYOYWEWIP-LFIBNONCSA-N	315.376	4.500	50	20	DJGD	
CC(C)(NCc1ccc(OCCCCl)cc1)c1ccccc1	811476767	ZQFWLDHDLBOFQK-UHFFFAOYSA-N	317.860	4.719	50	20	DJGD	
CCC1CCC(=NNC(=O)c2ccc(Cl)cc2Cl)CC1	5455806	DBIPGWDVWPWDJH-UHFFFAOYSA-N	313.228	4.679	50	20	DJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/C=C/c1ccccc1	7167003	QTQUJNSZDWZKEL-NRHDHWSESA-N	312.372	4.822	50	20	DJGD	
CCOCCC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	186085019	SVVSCSCWFWKHIF-UHFFFAOYSA-N	319.295	4.709	50	20	DJGD	
N#C/C(=C/c1ccc(N2CCCCC2)cc1)C(=O)c1ccsc1	193346337	LVCWHUUZTWWRAS-ATVHPVEESA-N	322.433	4.528	50	20	DJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1cc(F)ccc1F	206955765	CIASTVIEYJTCJX-JYRVWZFOSA-N	322.314	4.544	50	20	DJGD	
Cc1cc(/C=C(\C#N)c2nc3cc(F)ccc3s2)cc(C)c1O	730149240	VJSCCDUWWIFKEF-NTUHNPAUSA-N	324.380	4.822	50	20	DJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2nccc3ccccc23)c1	740765301	VVZFXBQJMZGTPQ-LDADJPATSA-N	312.372	4.642	50	20	DJGD	
N#C/C(=C\c1nccc2ccccc12)C(=O)c1cc2ccccc2o1	740765408	YXHSFBGJHYSDSH-LFIBNONCSA-N	324.339	4.771	50	20	DJGD	
CCc1ccccc1CNC(=O)CCCC[C@@H]1CCSS1	740842176	PAGLNUHMBWPZAS-MRXNPFEDSA-N	323.527	4.579	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(-c2ccccc2F)o1	741471172	XAGVGOYJKQSCLX-UROBUVALSA-N	311.356	4.998	50	20	DJGD	
Cc1ccc(-c2csc(/C(C#N)=C\c3cccn3C)n2)cc1	744855071	VRINOLJAVXJOQU-GDNBJRDFSA-N	305.406	4.521	50	20	DJGD	
O=C(NNc1ccccc1)Nc1ccccc1-c1ccccc1	762237375	MODRYVUDAJHIGP-UHFFFAOYSA-N	303.365	4.502	50	20	DJGD	
CC(C)(C)c1ccc(NNC(=O)c2cccc3ccsc23)cc1	768411273	PZVLRMPEUSWHIL-UHFFFAOYSA-N	324.449	4.956	50	20	DJGD	
C[C@H](COC(=O)CCCC[C@H]1CCSS1)CC(F)F	842438560	DMAWFCOPRWKVMC-QWRGUYRKSA-N	312.447	4.535	50	20	DJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3cc(C)ccc3C)n2)cc1	212182479	WGGWCZPJULZCDD-WQRHYEAKSA-N	315.376	4.726	50	20	DJGD	
CCn1c2ccccc2c2cc(/C=C(\C#N)c3ccncn3)ccc21	758913835	DDJRNOCGQUZTSM-LFIBNONCSA-N	324.387	4.669	50	20	DJGD	
Cc1cc(Cl)ccc1/C=C(\C#N)C(=O)Nc1ccccc1C	767341306	YJNFUBONXNEOJF-XNTDXEJSSA-N	310.784	4.503	50	20	DJGD	
C=CCC[C@@H](C(=O)NNc1cccc(Cl)c1)c1ccccc1	778387593	FQKWBGLJGCTAOG-QGZVFWFLSA-N	314.816	4.533	50	20	DJGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)c2ccc(Cl)s2)o1	783687390	ILHQGTXNFGSVRQ-FGVMVUQBSA-N	317.797	4.908	50	20	DJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2cc(F)c(F)cc2F)s1	797398514	HYGBIZVJCSIMHP-WMZJFQQLSA-N	322.355	4.922	50	20	DJGD	
N#C/C(=C\c1ccc(-c2ccccc2)o1)c1cnc2ccccc2n1	191349578	ATQXLAQAQZIJHR-FOWTUZBSSA-N	323.355	4.954	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(Br)cc1F	726118345	MIRAQKJHMAMJHJ-KPKJPENVSA-N	324.193	4.500	50	20	DJGD	
Cc1cccc2cc(/C=C(\C#N)C(=O)C3CCCC3)c(Cl)nc12	781553652	UUDIAGLCHYNZDX-MHWRWJLKSA-N	324.811	4.863	50	20	DJGD	
N#C/C(=C/c1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl	5772007	LWCXUVMTKOZJKD-WQLSENKSSA-N	317.175	4.539	50	20	DJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3ccc(F)c(C)c3)n2)cc1	729149246	HELSJWTZGQRWHQ-MHWRWJLKSA-N	319.339	4.557	50	20	DJGD	
CN(C)c1ccc(/C=C(/C#N)c2nc3cc(F)ccc3s2)cc1	730149677	DRWVIGNMTLBBPD-LCYFTJDESA-N	323.396	4.566	50	20	DJGD	
CCc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)s1	731155536	JVZORCRERNOADZ-LUAWRHEFSA-N	316.813	4.510	50	20	DJGD	
CSc1cccc(C)c1NC(=O)NNc1ccccc1Cl	771288230	DNCDMVSAMGXNED-UHFFFAOYSA-N	321.833	4.519	50	20	DJGD	
COc1ccc(C)cc1/C=C(/C#N)C(=O)c1ccc(Cl)s1	783714986	RKZIAVGYBIRHDP-WQLSENKSSA-N	317.797	4.508	50	20	DJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(-c2cccc(F)c2F)o1	790099142	FDLMOBGKMQYMLO-AWPPVZKDSA-N	315.319	4.747	50	20	DJGD	
CC(=NNC(=O)c1ccc(C(C)(C)C)cc1)C1CCCCC1	916324889	RPYSEDBNVRFADH-UHFFFAOYSA-N	300.446	4.670	50	20	DJGD	
O=C(CCCC[C@@H]1CCSS1)N1CC[C@H]1c1ccccc1	917140281	IBXUAHABHUKVJF-CVEARBPZSA-N	321.511	4.674	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	726183342	IECKNCXNUFWMPU-ZDLGFXPLSA-N	300.446	4.673	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2ccc(Cl)c(F)c2)c1C	727655695	ZVBMENRNZVNOJD-ZSOIEALJSA-N	313.759	4.886	50	20	DJGD	
C/C(=C/C(=O)NNc1cccc(Cl)c1)c1cccc(Cl)c1	749887109	GFKJLNNPBUKBER-FLIBITNWSA-N	321.207	4.540	50	20	DJGD	
Cc1cccc([C@H](C)C(=O)NNc2c(Cl)cccc2Cl)c1	763624924	QTPQAPMQYGOQNQ-NSHDSACASA-N	323.223	4.549	50	20	DJGD	
CC(C)C(=O)/C(C#N)=C/c1cnc(-c2ccc(Cl)cc2)s1	789128643	RIXWQXRBXNHADR-KPKJPENVSA-N	316.813	4.596	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/C(C)=C\c1ccccc1COC	814188894	XEAWHCQYKJYQLW-CTGWRUSHSA-N	311.425	4.692	50	20	DJGD	
CC[C@H](C)C(C)=NNC(=O)c1cc2c(s1)CCCCCC2	916350450	MERBGPJFSGWRMR-LBPRGKRZSA-N	306.475	4.559	50	20	DJGD	
Cc1ccccc1/C=C(/C#N)C(=O)c1c[nH]c2cc(Cl)ccc12	206972534	FEDUJFZDFQWHLN-ZSOIEALJSA-N	320.779	4.920	50	20	DJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(-c2ccc(F)cc2C)o1	734304855	YOAOTOBEVMUSJA-GVIGZQTCSA-N	311.356	4.916	50	20	DJGD	
Cc1cccc2c1CCN2C(=O)CCCC[C@@H]1CCSS1	195735338	WJMBYCXOOWHEBS-CQSZACIVSA-N	321.511	4.598	50	20	DJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(F)c(C)c2)c1C	729674818	NXVXYFJRSMXGAD-BOPFTXTBSA-N	322.383	4.528	50	20	DJGD	
Cc1occc1C(=O)/C(C#N)=C/c1csc(Cl)c1Cl	761392411	LOBWLGRESYFVBM-XBXARRHUSA-N	312.177	4.746	50	20	DJGD	
CCc1ccc(/C=C(/C#N)C(=O)c2cccc(C(F)(F)F)c2)o1	780375034	RXKLHVCDQNYUPS-XFXZXTDPSA-N	319.282	4.651	50	20	DJGD	
CC(C)(C)[C@@H]1CCN(C(=O)CCCC[C@H]2CCSS2)C1	784764460	ZYQPXMKRMTXKAO-KGLIPLIRSA-N	315.548	4.595	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cnc(C2CCCC2)s1	794875282	UCOQKTSYDUJXPI-LCYFTJDESA-N	302.443	4.713	50	20	DJGD	
C/C(N)=C(/C#N)c1nc(-c2ccccc2)c(-c2ccccc2)s1	798227463	HDTAGAKGHRDPRV-DTQAZKPQSA-N	317.417	4.690	50	20	DJGD	
CCC(=NNC(=O)c1cc2c(s1)CCCCCC2)C(C)C	916350441	LJZZSDJYMBJOAJ-UHFFFAOYSA-N	306.475	4.559	50	20	DJGD	
COc1cc(C)c(NC(=O)c2cccc(CCl)c2)c(C)c1C	1120737732	VNPOJSQXYLHLJH-UHFFFAOYSA-N	317.816	4.612	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1csc(-c2ccsc2)n1	280950766	JRXNESKWCUPNCS-KPKJPENVSA-N	316.451	4.784	50	20	DJGD	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(F)c(Cl)c1Cl	761377817	UURIACKFSGAKDX-RMKNXTFCSA-N	300.160	4.655	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cccc(C)c1OC(F)F	777918971	OTIRKVRNDYGENJ-LUHPIMIVSA-N	307.340	4.509	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/c1csc(-c2cccs2)n1	170851623	PLGAUSJTXLXLDN-XYOKQWHBSA-N	316.451	4.784	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cc3ccccc3o2)c1C	727654465	MYKMUMPJKICDJZ-WJDWOHSUSA-N	301.345	4.840	50	20	DJGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc(-c2c(F)cccc2F)o1	734367928	NJXJDGNNDPNWEF-FMIVXFBMSA-N	315.319	4.747	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc(Br)ccc1F	741469999	ONKXFNOUFYUYNW-QVIVLVACSA-N	324.193	4.500	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(F)cc1Br	767729251	ODCAHIFUFBLLBA-QVIVLVACSA-N	324.193	4.500	50	20	DJGD	
CC(C)ONC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	297165153	LNXWZCKUAACSMA-UHFFFAOYSA-N	320.283	4.806	50	20	DJGD	
Cc1cc(C)c(NNC(=O)c2ccc3ccccc3c2)c(C)c1	743765137	GGJUBEUJXALHCX-UHFFFAOYSA-N	304.393	4.522	50	20	DJGD	
Cc1cccc(/C=C(\C#N)C(=O)c2cccc(C(F)(F)F)c2)c1	780529718	ZQIGBDPXTGHLEN-OQLLNIDSSA-N	315.294	4.804	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(SC(F)F)cc1	781549370	DSFNXZUJTHGWCD-GJSJWPQCSA-N	309.381	4.914	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2coc3ccccc23)cc1C	809146003	KLIHEYLFRPGPRB-YBEGLDIGSA-N	301.345	4.840	50	20	DJGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(/C#N)C(=O)c2cccc(Cl)c2)o1	810219969	YWTSKLCSCUGHJR-FVIVFAEASA-N	311.768	4.846	50	20	DJGD	
C[C@H](CCO)N(C)Cc1cccc(S(F)(F)(F)(F)F)c1	895185449	MRTAKPRAJSQEQF-SNVBAGLBSA-N	319.339	4.547	50	20	DJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C\c2ccccc2F)cc1	915862799	ZXUVJMIUNAHPEY-VBKFSLOCSA-N	307.368	4.913	50	20	DJGD	
N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1	8202563	MYROLWSNJYPIPU-MDWZMJQESA-N	319.257	4.634	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1csc(-c2ccsc2)n1	172692756	WPQREKQVNJZJEC-ZTFCMROMSA-N	316.451	4.784	50	20	DJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)cc1	726428192	GXRJSRDJEJRKPO-CXDFQFJYSA-N	319.404	4.788	50	20	DJGD	
N#C/C(=C/c1ccc2ncccc2c1)C(=O)c1ccc(Cl)s1	783714042	FDZKTRRTHCPMED-LCYFTJDESA-N	324.792	4.740	50	20	DJGD	
N#C/C(=C\c1ccc(OCC2CC2)cc1)C(=O)C1CCCCC1	790100003	KXIBTEDXBGONDB-LDADJPATSA-N	309.409	4.532	50	20	DJGD	
Cc1cccc(C)c1/C=C(\C#N)c1nc(-c2ccncc2)cs1	179326887	AOWLJRWPPOTPQE-MHWRWJLKSA-N	317.417	4.886	50	20	DJGD	
N#C/C(=C\c1cc(Cl)cs1)C(=O)Nc1ccccc1Cl	195222972	KDRPRNDZZBTYLC-WEVVVXLNSA-N	323.204	4.601	50	20	DJGD	
Cc1ccc(C)c(/C=C(/C#N)C(=O)c2c[nH]c3cc(C)ccc23)c1	195651341	SANLDGWZIWVUKG-YVLHZVERSA-N	314.388	4.883	50	20	DJGD	
CCOC(=O)/C(C#N)=C\c1ccc(-c2cccc(Cl)c2)s1	386381760	RMFBKNUYCIJZST-XFXZXTDPSA-N	317.797	4.539	50	20	DJGD	
COc1ccc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)c(F)c1	844270112	JUHCVPAKXIBFNQ-KPKJPENVSA-N	316.401	4.652	50	20	DJGD	
CCc1oc2ccccc2c1/C=C(\C#N)C(=O)c1ccc(F)cc1	8244663	PVQBJHLEQNVPJF-SDNWHVSQSA-N	319.335	4.924	50	20	DJGD	
Cc1cc(/C(C#N)=C\c2ccccc2OC(C)C)ccc1[N+](=O)[O-]	774559834	SVIJKBXRAJWENB-BOPFTXTBSA-N	322.364	4.755	50	20	DJGD	
Cc1ccc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)cc1C	812246685	RNNMFZVXGDTTKB-ZSOIEALJSA-N	302.299	4.781	50	20	DJGD	
CSC(SC)=C(C#N)C(=O)c1ccc(Cl)c(Cl)c1	98180921	ZENHEEFVEJISPD-UHFFFAOYSA-N	318.250	4.637	50	20	DJGD	
N#C/C(=C\c1ccccc1OC1CCCC1)C(=O)c1ccsc1	141578951	DDSWBNOHNJLOBV-LFIBNONCSA-N	323.417	4.859	50	20	DJGD	
CCCC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	918558017	AKGDHTUTARZKIK-LLVKDONJSA-N	311.756	4.645	50	20	DJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccccc2C)ccc1SC	1318165235	DKLNGNFKDIGXLR-GDNBJRDFSA-N	323.417	4.515	50	20	DJGD	
Cc1ccc(NNC(=O)[C@@H](C)c2cccc(Cl)c2)cc1Cl	1318759543	JGFGGTUIGVVXID-NSHDSACASA-N	323.223	4.549	50	20	DJGD	
Cc1ccc([C@@H]2CCCN2C(=O)C2CCC(Cl)CC2)s1	1548648825	MNYZDWCOGYXIFC-RUXDESIVSA-N	311.878	4.518	50	20	DJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1	212151552	KSZDGAOZHCGJRX-WJDWOHSUSA-N	300.361	4.575	50	20	DJGD	
CC(=C\c1ccccc1)/C=C(\C#N)C(=O)c1c[nH]c2ccccc12	212840063	CHZOZLSMILRDGP-SSZXNVRRSA-N	312.372	4.904	50	20	DJGD	
O=C(NNc1cccc2c1CCCC2)c1ccc2sccc2c1	748577323	FHMDHWZQEBTBOQ-UHFFFAOYSA-N	322.433	4.537	50	20	DJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C\c2ccc(Cl)nc2)cc1	748998444	LOXJEDNJYVKZTB-GDNBJRDFSA-N	324.811	4.822	50	20	DJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccc(OCC2CC2)cc1	1255676512	RAYRHEYIKKSHPG-PDGQHHTCSA-N	317.388	4.574	50	20	DJGD	
N#C/C(=C\c1ccsc1)C(=O)Nc1c(Cl)cccc1Cl	6209922	LLZFMNHIOAYDSA-UXBLZVDNSA-N	323.204	4.601	50	20	DJGD	
C/C(=C/C(=O)NNc1cccc(Cl)c1)c1ccccc1Cl	727369376	LZHNEFGBMCCOFG-LUAWRHEFSA-N	321.207	4.540	50	20	DJGD	
CCC[C@H](C(=O)NNc1ccc(Cl)c(F)c1)c1ccccc1	746700950	DJGSOXXYKZMHMN-AWEZNQCLSA-N	320.795	4.506	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cccc(Cl)c1OCC	782343797	XQQFWKRWXRJTOD-GVIGZQTCSA-N	305.805	4.651	50	20	DJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc3occc3c2)c(C)c1	794686977	DDIKOPLXDNOPOM-BOPFTXTBSA-N	316.360	4.595	50	20	DJGD	
N#C/C(=C/c1cccc(F)c1C#N)c1nc2cc(F)ccc2s1	811691802	RSIRZKUECIUBPY-WDZFZDKYSA-N	323.327	4.510	50	20	DJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3ccccc3Cl)c[nH]c2c1	920068170	KHBYGVAASJQOJD-NTEUORMPSA-N	320.779	4.920	50	20	DJGD	
Cc1cc(C)cc(/C=C(\C#N)C(=O)c2cc3ccccc3o2)c1	921262716	XUTUWHUDCONAKA-LICLKQGHSA-N	301.345	4.840	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cccc3ccccc23)s1	729823347	OCWFCEVPRXAMKA-LFIBNONCSA-N	303.386	5.000	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1nc(-c2ccccc2)cs1	741474805	RSBUPBBYCVSCBH-LERPTODRSA-N	310.422	4.722	50	20	DJGD	
CC(C)C[C@H]1CCN(C(=O)CCCC[C@@H]2CCSS2)C1	744639638	ZYJSYFNTSGDJNO-HUUCEWRRSA-N	315.548	4.595	50	20	DJGD	
Cc1cc(C)cc(NNC(=O)c2ccc(-c3ccccc3)cc2)c1	857501395	NHXUCSDNGPHKHX-UHFFFAOYSA-N	316.404	4.727	50	20	DJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2ccc(F)cc2F)cc1	915852808	ZMAWPNHIPBHOHF-YBEGLDIGSA-N	311.331	4.707	50	20	DJGD	
N#C/C(=C\c1cccc2ccccc12)C(=O)c1ccccc1F	8201685	LVRPHQCROYQACV-FOWTUZBSSA-N	301.320	4.769	50	20	DJGD	
N#C/C(=C/c1cc(Cl)cs1)C(=O)c1c[nH]c2ccccc12	588600812	PZIBFVLCFLUANO-YHYXMXQVSA-N	312.781	4.673	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2ccc(Cl)c(F)c2)c1C	727655694	ZVBMENRNZVNOJD-RIYZIHGNSA-N	313.759	4.886	50	20	DJGD	
N#C/C(=C\c1cc2ccccc2s1)c1ccc([N+](=O)[O-])cc1	758423028	HAMRQCLEKSNAPT-GXDHUFHOSA-N	306.346	4.874	50	20	DJGD	
N#C/C(=C/c1ccc2ncccc2c1)C(=O)c1cc2ccccc2o1	916131141	OTBQRZAEPSGVAG-BOPFTXTBSA-N	324.339	4.771	50	20	DJGD	
Cc1cc(C)c(/C=C(/C#N)c2nc3ccccc3n2C)c(C)c1	916140653	CSRQAIZNPZKPIJ-WJDWOHSUSA-N	301.393	4.563	50	20	DJGD	
C[C@@H](CC(=O)NNc1ccccc1C(F)(F)F)CC(C)(C)C	916998839	WZOQWDZGHVPASQ-NSHDSACASA-N	316.367	4.611	50	20	DJGD	
Cc1ccc([C@H]2CCCN2C(=O)C2CCC(Cl)CC2)s1	1548648816	MNYZDWCOGYXIFC-JXQTWKCFSA-N	311.878	4.518	50	20	DJGD	
CC(=C\c1ccccc1)/C=C(\C#N)C(=O)Nc1cccc(C)c1C	7164328	CMEZYBGXEFACSU-CAOIWOLBSA-N	316.404	4.795	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cnc(C(C)(C)C)s2)cc1	154742466	FDKHHPCVSBPMAP-NTEUORMPSA-N	310.422	4.539	50	20	DJGD	
Cc1ccc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)s1	207845678	DSEGYBONLZQSND-PTNGSMBKSA-N	318.401	4.755	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cccc3c2OC(C)(C)C3)s1	737444041	NHSJBYGZGWWRBZ-DHDCSXOGSA-N	323.417	4.560	50	20	DJGD	
O=C(CCCC[C@@H]1CCSS1)OCc1ccsc1	744237477	NCVCDBPSRSWWLH-GFCCVEGCSA-N	302.486	4.505	50	20	DJGD	
Cc1ccc2cc(/C=C(/C#N)C(=O)CC(C)C)c(Cl)nc2c1	1318152810	HCVRLGCWDGTDFE-DHDCSXOGSA-N	312.800	4.719	50	20	DJGD	
CCCCCCCC(C)=NNC(=O)c1cn(C)c2ccccc12	744782553	VGRRPCHJVKVYCU-UHFFFAOYSA-N	313.445	4.645	50	20	DJGD	
N#C/C(=C/c1ccc(SC(F)F)cc1)C(=O)c1ccccc1	781543703	QLOXVHZVPIOURX-UVTDQMKNSA-N	315.344	4.791	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/C(C)=C/c1ccccc1COC	814189696	IQPKADODNSLDBC-OOLORYLFSA-N	311.425	4.692	50	20	DJGD	
CC(C)CC[C@H](C)NC(=O)CCCC[C@H]1CCSS1	849368033	ONDBCNMVVLGFSR-KBPBESRZSA-N	303.537	4.641	50	20	DJGD	
O=C(NNc1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1	866009403	GSIPCXSMTDTBCE-UHFFFAOYSA-N	322.795	4.764	50	20	DJGD	
C=CCOc1cccc(/C=C(/C#N)c2nc(C(C)C)cs2)c1	255087140	TWKNZQCCFLMJRL-DHDCSXOGSA-N	310.422	4.895	50	20	DJGD	
Cc1csc(/C(C#N)=C\c2cnc(-c3cccs3)s2)n1	588616476	ITVNGSARYCANOO-YHYXMXQVSA-N	315.448	4.701	50	20	DJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cc(Cl)c(OC)cc1Cl	753889765	SPFPMPCURIMVIV-JTTRITNRSA-N	312.196	4.524	50	20	DJGD	
N#C/C(=C\c1nc(Cl)cs1)c1nc2cc(F)ccc2s1	759085753	XQAMKZYTFSZQNN-XVNBXDOJSA-N	321.789	4.609	50	20	DJGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc(-c2cccc(F)c2F)o1	790099382	FUIAPOUAZICNEJ-XFXZXTDPSA-N	315.319	4.747	50	20	DJGD	
N#C/C(=C/c1ccsc1Cl)C(=O)c1ccc2ncccc2c1	794881538	DAGHCSGROQSBRO-ZROIWOOFSA-N	324.792	4.740	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc(Cl)s1	812763511	SZPSCEZWWOVSOX-UHFFFAOYSA-N	308.834	4.590	50	20	DJGD	
Cc1cc(/C=C(/C#N)c2nc(C3CC3)cs2)c(C)n1C1CC1	731676066	JRTUVRFFKVHZFS-NVNXTCNLSA-N	309.438	4.838	50	20	DJGD	
COc1cccc(C(=O)/C(C#N)=C/c2cc3ccccc3s2)c1	758419040	UNAJMMPIPUPGBY-RVDMUPIBSA-N	319.385	4.700	50	20	DJGD	
CC[C@H](COC)NCc1cccc(S(F)(F)(F)(F)F)c1	840894662	XIALFRRHNCZAOB-LLVKDONJSA-N	319.339	4.859	50	20	DJGD	
COc1cccc(C(=O)/C(C#N)=C\c2ccc(C(C)C)cc2)c1	212138265	QVRCKWSBAVODRT-WQRHYEAKSA-N	305.377	4.608	50	20	DJGD	
C/C(=C\c1cccc(Cl)c1)C(=O)NNc1cccc(Cl)c1	758218484	XVXCHRUMENPYKY-DHZHZOJOSA-N	321.207	4.540	50	20	DJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc3ccccc3c2)cc1	780808232	BDIACPYXOMEREH-UHFFFAOYSA-N	318.420	4.894	50	20	DJGD	
CCCCn1nc(C)c(/C=C(\C#N)C(=O)CC(C)(C)C)c1Cl	918713924	PGYKSJQUKKRKRE-UKTHLTGXSA-N	321.852	4.557	50	20	DJGD	
Cc1ccsc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1C	33315139	KSXKTEVNJPTFNU-WQLSENKSSA-N	316.813	4.564	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(C)n(C3CC3)c2C)s1	105605043	GXEDWTSAYZVUMN-OQLLNIDSSA-N	310.422	4.600	50	20	DJGD	
CCSc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2C)c1	184540975	JIEZPVRTZBUHTJ-LFIBNONCSA-N	322.433	4.653	50	20	DJGD	
Cc1ccc(C)c(/C=C(/C#N)c2nc(-c3ccncc3)cs2)c1	255517803	NMQYKWUPLZCCBJ-YVLHZVERSA-N	317.417	4.886	50	20	DJGD	
Cc1cc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)cc(C)c1O	588424590	PDTFZBSBBFGPGN-GHXNOFRVSA-N	317.797	4.514	50	20	DJGD	
N#C/C(=C\c1csc(Br)c1)C(=O)C1CCCCC1	767713984	NTIJHDOJHLGYSU-WUXMJOGZSA-N	324.243	4.567	50	20	DJGD	
Cc1nc(/C(C#N)=C\c2cscc2C(F)(F)F)sc1C	811691805	RUWSERKYXCUNCH-OQFOIZHKSA-N	314.357	4.904	50	20	DJGD	
N#C/C(=C/c1ccc(N2CCCC2)cc1)c1nc(C2CC2)cs1	1261490480	VXNICKYZESRELG-WJDWOHSUSA-N	321.449	4.685	50	20	DJGD	
CCCCC(CC)=NNC(=O)c1cc2c(s1)CCCCC2	732923483	CCURFZULKDLCND-UHFFFAOYSA-N	306.475	4.703	50	20	DJGD	
COc1ccc2ccccc2c1/C=C(\C#N)C(=O)C1CCCC1	781552652	BZBIDVNELWNMOD-FOWTUZBSSA-N	305.377	4.515	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cc(Br)ccc1F	794873948	IHPOSTFKQXKSAF-YRNVUSSQSA-N	324.193	4.500	50	20	DJGD	
C[C@@H](c1ccccc1)N(C)C(=O)CCCC[C@@H]1CCSS1	52917683	PFODRPMABMWNSB-GOEBONIOSA-N	323.527	4.920	50	20	DJGD	
Cc1cccc(NNC(=O)c2sc3ccccc3c2Cl)c1	72514602	LYTBWCWHHVOQNX-UHFFFAOYSA-N	316.813	4.620	50	20	DJGD	
CCOc1ccc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)cc1	588424520	BBIKDOXNONIMFN-XFXZXTDPSA-N	317.797	4.590	50	20	DJGD	
N#C/C(=C/c1ccc(-c2ccccc2)o1)C(=O)c1cccc(F)c1	772173023	YEIMAKRSBPQPLC-VBKFSLOCSA-N	317.319	4.876	50	20	DJGD	
CC(C)(C)[C@@H]1CCN(C(=O)CCCC[C@@H]2CCSS2)C1	784764462	ZYQPXMKRMTXKAO-ZIAGYGMSSA-N	315.548	4.595	50	20	DJGD	
CCOc1cccc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)c1	797398783	KUSHTIGQSPNKHV-NTEUORMPSA-N	312.438	4.903	50	20	DJGD	
Cc1cc(F)ccc1/C=C(/C#N)c1cc(C(F)(F)F)ccn1	812248625	PWGKBQRXFHMSQG-GHXNOFRVSA-N	306.262	4.612	50	20	DJGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1ccc(-c2ccccc2F)o1	918714472	XNLFQOBTOZLBLW-RAXLEYEMSA-N	311.356	4.998	50	20	DJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1cscc1C(F)(F)F	1327586561	AJWSJAQWOHFQHL-WDZFZDKYSA-N	321.323	4.865	50	20	DJGD	
CC(C)(C)CC(=O)NNc1c(Cl)cc(Cl)cc1Cl	31548819	DUECWHBOOCZPOK-UHFFFAOYSA-N	309.624	4.526	50	20	DJGD	
N#C/C(=C\c1ccccc1F)C(=O)c1c[nH]c2cc(Cl)ccc12	59270112	NINWGSMPBZWQSN-KPKJPENVSA-N	324.742	4.750	50	20	DJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2ccc(C)o2)cc1	211683101	OAQZMKVIRJKUML-YYTPVVGHSA-N	308.381	4.647	50	20	DJGD	
N#C/C(=C\c1ccc(Sc2ccccc2)cc1)c1ccncn1	758912909	OPZSKJHEWPUZPC-FOWTUZBSSA-N	315.401	4.692	50	20	DJGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)o1	783687386	ILHQGTXNFGSVRQ-CBAREYPASA-N	317.797	4.908	50	20	DJGD	
N#C/C(=C/c1cc(Cl)cs1)C(=O)Nc1ccccc1Cl	588600733	KDRPRNDZZBTYLC-UITAMQMPSA-N	323.204	4.601	50	20	DJGD	
Cc1cc(C)c(NNC(=O)c2cccc(Cl)c2Cl)c(C)c1	743762371	SFMZSZVMZRFMBN-UHFFFAOYSA-N	323.223	4.676	50	20	DJGD	
CCc1cccc(Cl)c1/C=C(\C#N)c1cnc2ccccc2n1	790228708	XZRYRLRIDGQFNT-GXDHUFHOSA-N	319.795	4.910	50	20	DJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)s1	212151704	RKTSYJRLNUAOBV-LCYFTJDESA-N	306.390	4.636	50	20	DJGD	
CCc1cccc2c(/C=C(/C#N)C(=O)c3ccc(F)cc3)c[nH]c12	212696186	RNANTUCDDFXOGL-GDNBJRDFSA-N	318.351	4.659	50	20	DJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cc2cccc(C)c2nc1Cl	726595055	STVMDTJJVLAPOX-PDICVPPASA-N	312.800	4.719	50	20	DJGD	
Cc1cccc(NNC(=O)C[C@@H](C)c2ccc(C(C)C)cc2)c1	738510727	QQIACYZWFQFOHP-MRXNPFEDSA-N	310.441	4.755	50	20	DJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(F)cc2C)c1C	750893055	NRKSQUBYBMWVBD-GZTJUZNOSA-N	324.399	4.752	50	20	DJGD	
Cc1occc1C(=O)/C(C#N)=C\c1cc(C(F)(F)F)ccc1F	113006525	VJRXAZLVNBHWDP-WDZFZDKYSA-N	323.245	4.536	50	20	DJGD	
CC(C)(C)C(=O)/C(C#N)=C/c1cc(C(F)(F)F)ccc1Cl	753682131	CZQPNFKWWJYQGK-UXBLZVDNSA-N	315.722	4.881	50	20	DJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1cccc(Cl)c1)c1ccccc1	787139776	BLUWGVOXCGNLED-QIPHDZALSA-N	324.811	4.514	50	20	DJGD	
CCOc1ccc(/C=C(\C#N)C(=O)c2ccc(C)c(C)c2)cc1F	809146661	RNRVNHPWXFHSDV-LICLKQGHSA-N	323.367	4.631	50	20	DJGD	
C=C[C@@H](COC)NCc1cccc(S(F)(F)(F)(F)F)c1	1262354127	ZOTOHBBFOJXMFC-NSHDSACASA-N	317.323	4.635	50	20	DJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(F)c(C)c2)c1C	729674819	NXVXYFJRSMXGAD-GZTJUZNOSA-N	322.383	4.528	50	20	DJGD	
O=C(NN=C1CCC[C@H](C2CC2)C1)c1cccc2ccccc12	741462718	MPGWDCUTNOPGSV-INIZCTEOSA-N	306.409	4.526	50	20	DJGD	
Cc1ccc(OC(F)F)c(/C=C(\C#N)c2nc(C)c(C)s2)c1	756789591	YVKWGFLQYNYGBZ-NTUHNPAUSA-N	320.364	4.734	50	20	DJGD	
COc1ccc(/C=C(/C#N)c2nc3cc(F)ccc3s2)cc1C	730149789	ZJMFATMBTBNNTC-JYRVWZFOSA-N	324.380	4.817	50	20	DJGD	
C[C@@H](C(=O)NN(c1ccccc1)c1ccccc1)c1cccs1	737466707	YFIKFPQIFCSNCF-OAHLLOKOSA-N	322.433	4.721	50	20	DJGD	
Cc1cc(/C=C(\C#N)C(=O)c2ccc(Cl)cc2F)ccc1F	773154362	LUEQPLFTYUUDCS-KPKJPENVSA-N	317.722	4.717	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cnc(C(C)(C)C)s2)cc1	588467687	FDKHHPCVSBPMAP-ZROIWOOFSA-N	310.422	4.539	50	20	DJGD	
COc1cccc2cc(/C=C(/C#N)c3nc(C)c(C)s3)oc12	741474432	OVLNKBAJMIAOTG-JYRVWZFOSA-N	310.378	4.579	50	20	DJGD	
O=C(NNc1ccccc1)Nc1ccccc1-c1cccs1	762235506	PFSZDJXWYHIQRI-UHFFFAOYSA-N	309.394	4.564	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccccc2OC(C)C)cc1	764891940	PJZRPSKLCAKJEI-LDADJPATSA-N	305.377	4.572	50	20	DJGD	
Cc1ccc(-c2csc(/C(C#N)=C\c3ccc(F)nc3)n2)cc1	777466783	FZCCNXWWMYZDFT-NVNXTCNLSA-N	321.380	4.717	50	20	DJGD	
Clc1cccc([C@@H](CBr)OC2CCCC2)c1	50480454	LQCIACFHLLXRPK-CYBMUJFWSA-N	303.627	4.735	50	20	DJGD	
Cc1cc(F)ccc1-c1ccc(/C=C(/C#N)c2ccccn2)o1	114990912	QDBDWGAZFAGXSX-KAMYIIQDSA-N	304.324	4.853	50	20	DJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C\c2ccc(C#N)s2)cc1	255624742	XEHGTABASUONSL-UVTDQMKNSA-N	320.417	4.707	50	20	DJGD	
N#C/C(=C\C1=Cc2ccccc2OC1)c1ccc2ccccc2n1	726743403	GFRPHQUIFZFVDG-LDADJPATSA-N	310.356	4.618	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(OC(C)C)cc2)cc1	764917582	VGNHQRSGVWZPBT-PDGQHHTCSA-N	305.377	4.572	50	20	DJGD	
C/C(=C/c1ccccc1Cl)C(=O)NNc1ccc(Cl)cc1	810683893	KSLFAANZVUAWED-KHPPLWFESA-N	321.207	4.540	50	20	DJGD	
N#C/C(=C\c1ccc(-c2ccccc2)o1)C(=O)c1ccc(F)cc1	917518639	HXKQYGZQVSVEEP-FOWTUZBSSA-N	317.319	4.876	50	20	DJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)[C@@H]1C[C@@H]1F	1349506692	OUWPKCRFWOOJFK-BDAKNGLRSA-N	305.243	4.641	50	20	DJGD	
C[C@@H](CNC(=O)CCCC[C@@H]1CCSS1)c1ccccc1	726185365	SWZCOHFXKVSVPN-GOEBONIOSA-N	323.527	4.620	50	20	DJGD	
O=C(CC1CCCC1)NN=Cc1sc2ccccc2c1Cl	749450447	UZKPTFLZVQKVSR-UHFFFAOYSA-N	320.845	4.585	50	20	DJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1ccc(C2CCC2)cc1	790808379	JFRNYWDQMBAJJE-UHFFFAOYSA-N	318.779	4.504	50	20	DJGD	
C[C@@H](CC#N)NCc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	878820067	GQYFDDXJAPLYOC-HNNXBMFYSA-N	318.537	4.600	50	20	DJGD	
Cc1cc2cc(/C=C(/C#N)C(=O)c3ccsc3)oc2cc1C	749807838	PDGAYHDTWUTNJO-NVNXTCNLSA-N	307.374	4.901	50	20	DJGD	
C/C(=C\c1cccc(Cl)c1)C(=O)NNc1cc(C)ccc1C	759658953	WSAKHMPKEMEGFU-GXDHUFHOSA-N	314.816	4.503	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc(F)ccc1Br	761206837	XVYVVCBIGAJCRW-BZPKPHBRSA-N	324.193	4.500	50	20	DJGD	
C[C@@H](C=NNC(=O)c1cccc(Cl)c1)c1cccc(Cl)c1	763347417	ZQYDRUKTJQARTH-NSHDSACASA-N	321.207	4.513	50	20	DJGD	
Cc1c(Cl)cccc1C(=O)NNc1ccc(C(C)(C)C)cc1	787508519	CNRRICTYVDRRQB-UHFFFAOYSA-N	316.832	4.703	50	20	DJGD	
Cc1ccc([C@H](C)NCc2ccc(OCCCCl)cc2)s1	811476703	YURRRGWWPDHSPN-AWEZNQCLSA-N	323.889	4.915	50	20	DJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2cc(C)ccc2F)c1C	735077035	JSBGSHHHEJWSAP-GZTJUZNOSA-N	322.383	4.528	50	20	DJGD	
Cc1cc(C)cc(NNC(=O)c2coc3ccc(C(C)C)cc23)c1	804468030	LPBQDOMJTPLPGK-UHFFFAOYSA-N	322.408	4.930	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc(C(F)F)cc1	812767235	VTVUIKRFTBLKMT-UHFFFAOYSA-N	318.367	4.813	50	20	DJGD	
N#C/C(=C\c1cccc(OC2CCCC2)c1)C(=O)c1ccccc1	917516859	CKFUJPPOQKOJFQ-QGOAFFKASA-N	317.388	4.798	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cscc2Cl)c1C	771836199	ARJIZDXIVFHHEV-WUXMJOGZSA-N	301.798	4.808	50	20	DJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cc2ccc(C)cc2nc1Cl	1318174034	QOUDRFQVLRLPRH-ZENNRRHLSA-N	312.800	4.719	50	20	DJGD	
CC(C)COc1ccc(/C=C(\C#N)C(=O)c2ccc(F)cc2)cc1	730151597	NSHOIKCERQXMCZ-GZTJUZNOSA-N	323.367	4.650	50	20	DJGD	
Cc1coc2ccc(NC(=O)NNc3cccc(Cl)c3)cc12	776085647	RHLJVEVDEOVKHT-UHFFFAOYSA-N	315.760	4.543	50	20	DJGD	
N#C/C(=C\c1ccccc1F)C(=O)c1cc2ccccc2s1	788332284	SDTOJJNWNJFMNT-NTEUORMPSA-N	307.349	4.830	50	20	DJGD	
N#C/C(=C/c1sccc1Cl)C(=O)c1ccc2ncccc2c1	794883781	DIJOSRJTKDUDQP-LCYFTJDESA-N	324.792	4.740	50	20	DJGD	
Cc1cc(/C=C(/C#N)C(=O)c2ccccc2)c(C)n1CC(C)C	915841661	YQMJQNWZEBWJEV-ODLFYWEKSA-N	306.409	4.551	50	20	DJGD	
N#C/C(=C\c1ccc(-c2ccccc2F)o1)C(=O)c1ccsc1	915989806	NSFDHUJZFJBLRP-UKTHLTGXSA-N	323.348	4.937	50	20	DJGD	
N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)c1ccsc1	915990287	YYAQXPTYSCLWCS-NTEUORMPSA-N	323.348	4.937	50	20	DJGD	
O=C(CCCC[C@H]1CCSS1)N1CC[C@H]1c1ccccc1	917140282	IBXUAHABHUKVJF-HOTGVXAUSA-N	321.511	4.674	50	20	DJGD	
COc1ccc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)s1	121941062	AVOVXQJVKRMKTQ-LCYFTJDESA-N	324.430	4.944	50	20	DJGD	
CCSc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2C)c1	588488690	JIEZPVRTZBUHTJ-WJDWOHSUSA-N	322.433	4.653	50	20	DJGD	
Cc1cc(F)ccc1/C=C(\C#N)C(=O)c1cc2ccccc2o1	750892847	KSPABARSCWPAFD-OQLLNIDSSA-N	305.308	4.670	50	20	DJGD	
CC(C)(C)c1ccc(NNC(=O)Nc2cccc3[nH]ccc23)cc1	780542000	PDBMLCMNNIYYAI-UHFFFAOYSA-N	322.412	4.614	50	20	DJGD	
COc1ccc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)c(F)c1	844270109	JUHCVPAKXIBFNQ-GHXNOFRVSA-N	316.401	4.652	50	20	DJGD	
N#C/C(=C\c1cc(Cl)cc(Cl)c1)C(=O)c1ccc(F)cc1	917519374	RFOHFNMMGCRJHR-LFYBBSHMSA-N	320.150	4.922	50	20	DJGD	
Cc1ccc(-c2nc(/C=C(/C#N)c3ccccn3)cs2)cc1	124779523	ROSGSJMIFVMPNR-GDNBJRDFSA-N	303.390	4.578	50	20	DJGD	
CCCCn1nc(C)c(/C=C(/C#N)C(=O)C(CC)CC)c1Cl	726118012	HLXYRSGTRBJEEB-UVTDQMKNSA-N	321.852	4.557	50	20	DJGD	
CCc1cccc(C)c1NNC(=O)c1ccc(C2CCC2)cc1	799760293	DWISKZSPAOPOOL-UHFFFAOYSA-N	308.425	4.582	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccsc1C(F)(F)F	863186190	QSUBSDMJPRXNLU-MXFUOJGSSA-N	301.333	4.679	50	20	DJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)c1cc(Cl)cc(Cl)c1	921138583	SHOQHYGEBVHZGA-LFYBBSHMSA-N	320.150	4.922	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C\c2ccc(O[C@H](C)C#N)cc2)n1	83024487	PTSBXYYPQKNKIP-ATDKOCKZSA-N	323.421	4.622	50	20	DJGD	
Cc1ccsc1/C=C(\C#N)c1nc2ccccc2n1C(F)F	193315614	YNZWRZBSWGGQOM-DHZHZOJOSA-N	315.348	4.866	50	20	DJGD	
Cc1ccc(-c2ncc(/C=C(\C#N)c3nc(C)cs3)s2)cc1	193864348	RYSUSCGQXAJAGA-VGOFMYFVSA-N	323.446	4.948	50	20	DJGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(/C#N)c2nc(-c3ccccc3)no2)o1	733781762	HHYGLWCHXYEBEY-UMFRXALVSA-N	317.348	4.517	50	20	DJGD	
CCCCCCCOc1ccc(/C=C(\C#N)c2ccncn2)cc1	758912230	LTFOBZVBTSNUQY-NBVRZTHBSA-N	321.424	4.890	50	20	DJGD	
C[C@@H]1C[C@H]1C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	786610955	NEHLQMOFCCJPNO-DNSOKLHBSA-N	323.767	4.500	50	20	DJGD	
Cc1cccc(NNC(=O)c2ccc(C(C)C)c(Cl)c2)c1	787990437	ALMINORRGLRESX-UHFFFAOYSA-N	302.805	4.529	50	20	DJGD	
Cc1nc(/C(C#N)=C/c2cscc2C(F)(F)F)sc1C	811691806	RUWSERKYXCUNCH-YCRREMRBSA-N	314.357	4.904	50	20	DJGD	
Clc1cccc([C@H](CBr)OC2CCCC2)c1	50480455	LQCIACFHLLXRPK-ZDUSSCGKSA-N	303.627	4.735	50	20	DJGD	
N#C/C(=C\c1ccc(-c2ccccc2F)s1)C(=O)c1ccoc1	752883135	AZADIPVMPXUUHN-UKTHLTGXSA-N	323.348	4.937	50	20	DJGD	
CC(C)(CCCCCl)c1nc(O)c2c3c(sc2n1)CCC3	766291460	XDSASSLVFDBDAN-UHFFFAOYSA-N	324.877	4.572	50	20	DJGD	
N#C/C(=C/c1ccc(-c2ccccc2F)o1)C(=O)C1CCCC1	781553746	WUCPKFMCHDCTRX-KAMYIIQDSA-N	309.340	4.752	50	20	DJGD	
Cc1ccc(/C=C(/C#N)c2cnc3ccccc3n2)cc1Cl	588596093	TWDGUQRBRVNLML-ZSOIEALJSA-N	305.768	4.656	50	20	DJGD	
CCN(CC)c1ccc(/C=C(\C#N)c2nc(C)c(C)s2)cc1	741473049	DZHYEQNZRNNSDX-LFIBNONCSA-N	311.454	4.670	50	20	DJGD	
O=C(CCCC[C@@H]1CCSS1)Oc1cccc2[nH]ccc12	744275836	UJYBZNWZEBBGLB-GFCCVEGCSA-N	321.467	4.787	50	20	DJGD	
Cc1cc(F)ccc1/C=C(\C#N)C(=O)c1c(C)[nH]c2ccccc12	750896681	RCBFOSHLFXJPCG-XNTDXEJSSA-N	318.351	4.714	50	20	DJGD	
C/C(=C/c1cccc(Cl)c1)C(=O)NNc1cccc(Cl)c1	758218487	XVXCHRUMENPYKY-FLIBITNWSA-N	321.207	4.540	50	20	DJGD	
CC[C@H](NCCO[Si](C)(C)C(C)(C)C)c1nc(C)cs1	808746151	LMOKUQZYQKQNSH-ZDUSSCGKSA-N	314.571	4.514	50	20	DJGD	
Cc1ccoc1/C=C(/C#N)C(=O)c1c(Cl)cccc1Cl	742349671	QZQUZEUOJHYFEA-YFHOEESVSA-N	306.148	4.685	50	20	DJGD	
C[C@@H](CBr)CN[C@H](C)c1csc2ccccc12	770668338	LLBDXWMYYBONEF-WDEREUQCSA-N	312.276	4.583	50	20	DJGD	
CCN(CC)c1ccc(/C=C(\C#N)c2nc(C3CC3)cs2)cc1	864095825	FYLCFILUZVVMOA-LFIBNONCSA-N	323.465	4.931	50	20	DJGD	
CC[C@@H](C)c1ccc([C@H](NC(=O)CCl)c2cccs2)cc1	1116437705	NTOCHXNRNLEOBO-PXAZEXFGSA-N	321.873	4.706	50	20	DJGD	
N#C/C(=C\c1ccc2c(c1)CCC2)c1nc2cc(F)ccc2s1	1322089998	RDCSXDFTXCAUPY-OQLLNIDSSA-N	320.392	4.988	50	20	DJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(Oc2cccnc2)c(C)c1	732714921	ZZFQZOLDZLNKDP-SWEABUAFSA-N	320.392	4.705	50	20	DJGD	
CSc1cc(/C(C#N)=C/c2ccc(C3CCCC3)cc2)ncn1	812241362	CREOTAMUMKNRDD-LICLKQGHSA-N	321.449	4.920	50	20	DJGD	
Cc1cc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)ccc1F	812246769	UIPPCMWWFAIPRD-GHXNOFRVSA-N	306.262	4.612	50	20	DJGD	
Cc1csc(/C(C#N)=C\c2ccc(C(C)C)c([N+](=O)[O-])c2)n1	255636416	FXVDYZOLYMWHAW-MLPAPPSSSA-N	313.382	4.547	50	20	DJGD	
O=C(NN=CCC1CCCCC1)c1c(Cl)cccc1Cl	814833164	ASJRXYMBFRDVCS-UHFFFAOYSA-N	313.228	4.679	50	20	DJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc2ccccc2c1	916650609	CBGSBYNFIMFBMQ-BOPFTXTBSA-N	316.335	4.525	50	20	DJGD	
N#C/C(=C/c1nc(-c2ccccc2)cs1)C(=O)C1CCCCC1	767737944	RGUBYDSPRRPNRG-WJDWOHSUSA-N	322.433	4.866	50	20	DJGD	
Cc1ccc(C)c(/C=C(/C#N)C(=O)c2ccc(Cl)cc2F)c1	773153289	DROLQXBIDVVLGJ-ZSOIEALJSA-N	313.759	4.886	50	20	DJGD	
N#C/C(=C\c1ccc2cnccc2c1)C(=O)c1cc2ccccc2o1	779798293	NRXBKZFXJQIZLD-VCHYOVAHSA-N	324.339	4.771	50	20	DJGD	
C=C(CBr)CN[C@H](C)c1cc2ccccc2s1	791489463	BUAAZEIXXBBMRP-LLVKDONJSA-N	310.260	4.503	50	20	DJGD	
CCc1cccc(C)c1NNC(=O)c1oc2c(C)cccc2c1C	799755976	NGLNNQAVZNWYQD-UHFFFAOYSA-N	322.408	4.677	50	20	DJGD	
FS(F)(F)(F)(F)c1cccc(CN2CCCOCC2)c1	891720602	NRGCNUNLPPFSQA-UHFFFAOYSA-N	317.323	4.566	50	20	DJGD	
Cc1ccc(F)c(/C=C(/C#N)c2nc3cc(F)ccc3s2)c1	734980096	FSTUIAKPISMJGT-GHXNOFRVSA-N	312.344	4.947	50	20	DJGD	
CC(C)C1CCC(=NNC(=O)c2cccc3ccccc23)CC1	741462722	MXUICBNPVDQVHA-UHFFFAOYSA-N	308.425	4.772	50	20	DJGD	
N#C/C(=C/c1c(F)cccc1F)C(=O)c1ccc(F)c(Cl)c1	773154920	OLXAYGSNPTWKLM-POHAHGRESA-N	321.685	4.547	50	20	DJGD	
CC(C)[C@@H]1CCCN(C(=O)CCCC[C@H]2CCSS2)C1	781096142	WUUHUIWZLZAXIM-CABCVRRESA-N	315.548	4.595	50	20	DJGD	
CCCN(N=C/C(C)=C/c1ccccc1)C(=O)OC(C)(C)C	794993116	PGKGAYOMKBYQTD-ALJQYSCYSA-N	302.418	4.723	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccsc2Cl)cc1C	809147054	XMHQKDWACIOKPC-RIYZIHGNSA-N	301.798	4.808	50	20	DJGD	
Cc1ccc([C@H](C)NCc2ccc(OCCCCl)cc2)cc1	811474930	UDYIAKOUDUSHIG-INIZCTEOSA-N	317.860	4.854	50	20	DJGD	
CCSc1cccc(/C=C(\C#N)c2nc3ccccc3[nH]2)c1	184540699	DPOSKUDAIZRBME-GXDHUFHOSA-N	305.406	4.739	50	20	DJGD	
COc1cc(/C=C(/C#N)c2nc(C(C)C)cs2)ccc1Cl	863186045	LVRQEMAVANHEJA-SDQBBNPISA-N	318.829	4.993	50	20	DJGD	
Cc1cc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1F	729149720	KTODSJAWOBEWRJ-XNTDXEJSSA-N	318.351	4.714	50	20	DJGD	
COc1ccc(/C=C(/C#N)c2nc(C(C)C)cs2)c(Cl)c1	747439090	FLYXURNUNNQNGH-SDQBBNPISA-N	318.829	4.993	50	20	DJGD	
CN(C)c1ccc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)cc1	797398746	KLGDVQNBCAIQTA-GXDHUFHOSA-N	311.454	4.571	50	20	DJGD	
CCCC[C@H](C)N(C)C(=O)CCCC[C@H]1CCSS1	811958783	HNTOJRDUHQMNSD-KBPBESRZSA-N	303.537	4.738	50	20	DJGD	
Cc1ccc(CN(C)C(=O)CCCC[C@H]2CCSS2)cc1	302709598	NHFVJRIUDWLQIJ-INIZCTEOSA-N	323.527	4.668	50	20	DJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cnc(C(C)(C)C)s2)c1	736433686	JFRBBWAIFWRZPM-DHDCSXOGSA-N	324.449	4.847	50	20	DJGD	
CCn1nc(/C=C(/C#N)c2ccc3ccccc3n2)c2ccccc21	769741831	FPHQLWNLKCURSO-SSZFMOIBSA-N	324.387	4.669	50	20	DJGD	
N#C/C(=C/c1cccc(OC2CCCC2)c1)C(=O)C1CCCC1	781553179	NKTSUZYALWYGSU-ATVHPVEESA-N	309.409	4.674	50	20	DJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2ccc(O)c(Cl)c2)s1	797398605	IZPCFBZPZKRKQV-IZZDOVSWSA-N	318.829	4.864	50	20	DJGD	
CC(=C/c1ccccc1C(F)(F)F)/C=C(/C#N)c1ccncn1	799891852	IMINHENWNCDYQM-RXAUVDRZSA-N	315.298	4.506	50	20	DJGD	
N#C/C(=C\c1ccc(-c2ccc(F)cc2)s1)C(=O)c1ccco1	14178027	KDHKHPNPKYPUIA-JLHYYAGUSA-N	323.348	4.937	50	20	DJGD	
C/C(=C/C(=O)NNc1c(Cl)cccc1Cl)c1ccccc1	763617090	DDHPJGSYUPFCRV-KHPPLWFESA-N	321.207	4.540	50	20	DJGD	
Cc1cc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)c(C)o1	767887914	YWZHWPNUHWHSCB-AWNIVKPZSA-N	324.767	4.821	50	20	DJGD	
Cc1ccc(NNC(=O)c2ccc(C(C)C)c(Cl)c2)cc1	787991527	QFOLTWSJGYFILG-UHFFFAOYSA-N	302.805	4.529	50	20	DJGD	
Cc1nc(/C(C#N)=C\c2cnc(-c3ccccc3)s2)sc1C	125448152	FMDGYXOAQQFJEA-ZSOIEALJSA-N	323.446	4.948	50	20	DJGD	
CC1(C)CCCN(C(=O)CCCC[C@@H]2CCSS2)CC1	741729861	FPHRQVQYLXCMGV-CQSZACIVSA-N	315.548	4.739	50	20	DJGD	
CC[C@@]1(C)CCCN(C(=O)CCCC[C@H]2CCSS2)C1	742863059	ORZNCHZXPXTZNN-HOCLYGCPSA-N	315.548	4.739	50	20	DJGD	
CCSc1cccc(/C=C(/C#N)C(=O)c2ccccc2F)c1	769723581	AAJDIWRPEFKEGS-UVTDQMKNSA-N	311.381	4.728	50	20	DJGD	
CCCN(N=CC[C@@H](C)c1ccccc1)C(=O)OC(C)(C)C	794995709	MKNJPGHSWHTDPL-OAHLLOKOSA-N	304.434	4.813	50	20	DJGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)o1	16968024	SXGKTVHWYLVBOP-NGOVVIEOSA-N	316.360	4.674	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C/c2ccc(O[C@H](C)C#N)cc2)n1	255443461	PTSBXYYPQKNKIP-MGMWDDNKSA-N	323.421	4.622	50	20	DJGD	
COc1ccc(Cl)cc1/C=C(/C#N)C(=O)c1ccc(C)s1	729819771	DZWWYNYSHOQKRJ-GHXNOFRVSA-N	317.797	4.508	50	20	DJGD	
Cc1cccc(NNC(=O)CC2CCC(c3ccccc3)CC2)c1	731784329	KYIOIOUWLLFXCZ-UHFFFAOYSA-N	322.452	4.802	50	20	DJGD	
Cc1ccc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)cc1F	812246455	LWOOFSZMZWSCPI-WUXMJOGZSA-N	306.262	4.612	50	20	DJGD	
Cc1cc(/C=C(\C#N)C(=O)c2ccccc2)c(C)n1CC(C)C	915841662	YQMJQNWZEBWJEV-YBFXNURJSA-N	306.409	4.551	50	20	DJGD	
N#C/C(=C/c1ccc(-c2ccccc2)o1)C(=O)c1ccccc1F	917519260	PUMGKGAMXLKAOW-QINSGFPZSA-N	317.319	4.876	50	20	DJGD	
CCC(C)(C)C1CCC(=NNC(=O)c2ccccc2F)CC1	5916537	FPPWMFORSCBHGD-UHFFFAOYSA-N	304.409	4.538	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C\c2cc(F)c(F)c(F)c2)n1	83015443	SNCHBPNANGMQMD-KMKOMSMNSA-N	308.328	4.748	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(OC)c2ccccc12	726117601	AKRFRIDUJLZBBR-VBKFSLOCSA-N	307.393	4.761	50	20	DJGD	
Cc1cc(C)c(C=NNC(=O)c2cccc3ccccc23)c(C)c1	741465876	XMAFJWSSKOYCEG-UHFFFAOYSA-N	316.404	4.529	50	20	DJGD	
CCCCC1CCC(C(=O)/C(C#N)=C\c2scnc2C)CC1	742435587	YUURCDYNSNUFPI-YBEGLDIGSA-N	316.470	4.924	50	20	DJGD	
Cc1cc(/C=C(\C#N)C(=O)C2CCCCC2)cc2cccnc12	783708367	AXOTZZNANGCRFO-LDADJPATSA-N	304.393	4.600	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1ccc(C(F)(F)F)cc1	915990649	SDIQVVYSZNPKRT-XYOKQWHBSA-N	321.323	4.865	50	20	DJGD	
N#C/C(=C\c1ccc2c(c1)CCC2)c1cc(C(F)(F)F)ccn1	1325980264	MCBAULAJHQFSMF-OQLLNIDSSA-N	314.310	4.653	50	20	DJGD	
N#C/C(=C/c1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1	8520827	FGIKREBBILYBOG-PDGQHHTCSA-N	300.317	4.812	50	20	DJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2coc3ccccc23)c(C)c1	255086051	ZCWPLVBANFQPCH-GDNBJRDFSA-N	316.360	4.595	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cc3cc(F)ccc3o2)c1C	741843082	YCGWZKYGLAACOV-XNTDXEJSSA-N	319.335	4.979	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(Cl)cc2C)s1	767352183	PEQRACIDMFHKIF-MDWZMJQESA-N	301.798	4.808	50	20	DJGD	
N#C/C(=C/c1ccc2c(c1)CCC2)c1cc(C(F)(F)F)ccn1	1325980248	MCBAULAJHQFSMF-DHDCSXOGSA-N	314.310	4.653	50	20	DJGD	
Cc1ccc2cc(/C=C(\C#N)c3ccccn3)c(Cl)nc2c1	7155301	PQHUOPBXMUAZLU-XNTDXEJSSA-N	305.768	4.656	50	20	DJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc3ccccc3c2)c1	7158505	SXPPJZGDZOLDOC-CPNJWEJPSA-N	312.372	4.694	50	20	DJGD	
N#C/C(=C\c1cc2ccccc2o1)C(=O)c1cc2ccccc2o1	217576956	MKNZLSJVVPKPAE-XNTDXEJSSA-N	313.312	4.969	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cc(C)n(C3CC3)c2C)c1C	727827390	BYAJDUFNJORVBQ-WOJGMQOQSA-N	318.420	4.847	50	20	DJGD	
CCOc1ccccc1/C=C(\C#N)c1nc2cc(F)ccc2s1	730149195	UVISRSSLHFOLTQ-UKTHLTGXSA-N	324.380	4.898	50	20	DJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3cc(C)ccc3F)n2)cc1	734980287	HZHVKYIRMHESHY-YBEGLDIGSA-N	319.339	4.557	50	20	DJGD	
CC(C)[C@H](C)N(C(=O)CCCC[C@H]1CCSS1)C1CC1	746517160	KUJULJCIQOHPRJ-ZFWWWQNUSA-N	315.548	4.736	50	20	DJGD	
N#C/C(=C\c1cc(Cl)ccc1Cl)C(=O)c1ccsc1	753682830	JZEDVCRPQNSFPH-VZUCSPMQSA-N	308.189	4.845	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(N2CCCCC2)cc1	794873722	GOABUGMOANUANW-VKAVYKQESA-N	310.441	4.589	50	20	DJGD	
N#C/C(=C\c1cccc(CCl)c1)c1nc(-c2ccccc2)no1	799890529	PHEPUNKCMBRAEC-MHWRWJLKSA-N	321.767	4.540	50	20	DJGD	
C[C@H](CCCO)NCc1cccc(S(F)(F)(F)(F)F)c1	840893179	KQJKRAHTQXXUGF-SNVBAGLBSA-N	319.339	4.595	50	20	DJGD	
N#C/C(=C\c1ccccc1C(F)(F)F)C(=O)c1ccc(F)cc1	8202516	DKUWNVSVLSIYMM-UKTHLTGXSA-N	319.257	4.634	50	20	DJGD	
CC[C@@H](OC)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	276902123	ORXXTZAUMIWDCG-SNVBAGLBSA-N	319.295	4.708	50	20	DJGD	
Cc1ccc(-c2csc(/C(C#N)=C\c3ccc(C#N)o3)n2)cc1	742349324	DMGGJOUMTSCRMH-ZSOIEALJSA-N	317.373	4.647	50	20	DJGD	
COc1cc(Cl)c(/C=C(\C#N)C(=O)C2CCCC2)cc1Cl	781556528	YYXQGFPPLHXTNE-WUXMJOGZSA-N	324.207	4.668	50	20	DJGD	
COCc1ccccc1/C=C(C)/C=C(\C#N)c1nc(C)cs1	814187488	KWRLYAVQXKDPNV-GHUIUTHHSA-N	310.422	4.608	50	20	DJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1ccc(C)cc1	915844309	VQTZQGIWSGAPKZ-UYRXBGFRSA-N	318.420	4.666	50	20	DJGD	
CN(N=CC(c1ccccc1)c1ccccc1)C(=O)OC(C)(C)C	920381344	OXOGQRXKKULCTC-UHFFFAOYSA-N	324.424	4.671	50	20	DJGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccc(Oc2ccccc2)o1	182207055	BFSNQXMHIIGBKX-SDNWHVSQSA-N	319.316	4.763	50	20	DJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)c1ccon1	186058945	IWPXBLKEPFYKKV-UHFFFAOYSA-N	314.235	4.584	50	20	DJGD	
Cc1cc(F)ccc1NC(=O)CCCC[C@H]1CCSS1	247814678	CDGFVYGJKRFOHW-ZDUSSCGKSA-N	313.463	4.787	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc3c(c2)CC(C)(C)O3)s1	729820583	SKEAVLFJCPGOQX-DHDCSXOGSA-N	323.417	4.560	50	20	DJGD	
CCOc1ccc(/C=C(/C#N)c2nc3cc(F)ccc3s2)cc1	730148522	HVBARAMZWRWHHS-LCYFTJDESA-N	324.380	4.898	50	20	DJGD	
O=C(CCCC[C@H]1CCSS1)N(C1CCCC1)C1CC1	730776221	VNNLLMZTUJNBGW-HNNXBMFYSA-N	313.532	4.634	50	20	DJGD	
Cc1ccc(/C=C(/C#N)c2nc(-c3ccccc3)no2)cc1Cl	766288156	COWHRTCCJGEHGS-DHDCSXOGSA-N	321.767	4.763	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(SC(F)F)cc1	781549375	DSFNXZUJTHGWCD-VSXLWIIGSA-N	309.381	4.914	50	20	DJGD	
N#C/C(=C\c1ccsc1Cl)c1cc(C(F)(F)F)ccn1	812246164	FFZXYANICCQCQJ-WEVVVXLNSA-N	314.719	4.879	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C/c2cnc(C(C)C)s2)n1	123507935	MFEBEOJUCQTGJE-VZUCSPMQSA-N	303.456	4.911	50	20	DJGD	
Cc1cccc([C@@H](C)C(=O)NNc2ccc(C(C)(C)C)cc2)c1	780802337	JQBPSOUQIOKHMC-OAHLLOKOSA-N	310.441	4.539	50	20	DJGD	
Cc1cc(/C=C(\C#N)C(=O)c2cc3ccccc3s2)c(C)o1	788326995	IGZZJMFHNSDLGS-OVCLIPMQSA-N	307.374	4.901	50	20	DJGD	
N#C/C(=C/c1ccsc1Cl)C(=O)c1c[nH]c2ccccc12	790101807	SRIYNAILUBBCPB-XFFZJAGNSA-N	312.781	4.673	50	20	DJGD	
CC(C)CCO[C@H](CBr)c1ccccc1Cl	71125341	XGLDVQWCUHAISG-CYBMUJFWSA-N	305.643	4.839	50	20	DJGD	
COc1cc(CCl)cc(N(C)Cc2ccccc2)c1Cl	98180975	QMSWPKXROZYREI-UHFFFAOYSA-N	310.224	4.724	50	20	DJGD	
Cc1cc(/C(C#N)=C\c2c(F)cccc2Cl)ccc1[N+](=O)[O-]	776194013	XORHAYZGEKNQNA-WQLSENKSSA-N	316.719	4.760	50	20	DJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2nc(Cl)cs2)s1	797406464	GNXIJBRFHRHACD-XBXARRHUSA-N	309.847	4.615	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cscc1C(F)(F)F	811691088	JHITYSDWOCDWCS-QFQXNISHSA-N	301.333	4.679	50	20	DJGD	
CC(C)c1ccc(/C=C(/C#N)c2nc(-c3ccccc3)no2)cc1	916131478	ICEBNFJIYVOMHB-PDGQHHTCSA-N	315.376	4.924	50	20	DJGD	
CCc1nnc(/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)o1	1117197494	LXMGQRGFAXADKM-WJDWOHSUSA-N	324.428	4.620	50	20	DJGD	
N#CC(C#N)=Cc1nc(-c2cc(Cl)ccc2Cl)cs1	125252562	KAFUHMRVFNDJEW-UHFFFAOYSA-N	306.177	4.547	50	20	DJGD	
CCCCOc1ccc(/C=C(/C#N)C(=O)c2ccc(F)cc2)cc1	213511783	UAHADXHIUBCUAY-LGMDPLHJSA-N	323.367	4.794	50	20	DJGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc(SC(F)(F)F)cc1	726120779	ZWWXFMLAZQOJKA-WQLSENKSSA-N	313.344	4.821	50	20	DJGD	
Cc1cc(/C(C#N)=C\c2cccc(OC(C)C)c2)ccc1[N+](=O)[O-]	774558005	HUKGBIKLHXEDRU-YVLHZVERSA-N	322.364	4.755	50	20	DJGD	
C[C@H](O)C[C@@H](C)NCc1cccc(S(F)(F)(F)(F)F)c1	921986750	NLGWGUHNWFUVSK-ZJUUUORDSA-N	319.339	4.593	50	20	DJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C/c2ccc(C#N)cc2)cc1	7211513	APTXSVNWYDVDIZ-LDADJPATSA-N	314.388	4.646	50	20	DJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)cc1C	59269749	OQPZIOPIJOQMLC-MHWRWJLKSA-N	300.361	4.575	50	20	DJGD	
N#C/C(=C/c1ccc(Cl)s1)C(=O)c1c[nH]c2ccccc12	208305494	IHGZWFFLNBJHEI-YFHOEESVSA-N	312.781	4.673	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C\c1cccc(-c2cccnc2)c1	255390500	JLFZIIGPGWOAGR-UNOMPAQXSA-N	304.393	4.661	50	20	DJGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(-c2ccccc2)cc1	748544668	RBYZRDZDRJHLDJ-UHFFFAOYSA-N	320.367	4.558	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cscc2Cl)c1C	771836198	ARJIZDXIVFHHEV-SDQBBNPISA-N	301.798	4.808	50	20	DJGD	
CCn1c(C)cc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)c1C	783687510	LDBAWWQBLHNCQP-JYRVWZFOSA-N	318.829	4.630	50	20	DJGD	
N#C/C(=C/c1ccc(-c2cccs2)cc1F)C(=O)c1ccoc1	798229544	FDWWJGIMUXADRL-NVNXTCNLSA-N	323.348	4.937	50	20	DJGD	
CCOc1ccc(/C=C(/C#N)C(=O)c2ccc(C)c(C)c2)cc1F	809146662	RNRVNHPWXFHSDV-YVLHZVERSA-N	323.367	4.631	50	20	DJGD	
CCc1oc2ccccc2c1/C=C(/C#N)C(=O)c1ccccc1F	212686144	JDAVNIOEQXANAV-QBFSEMIESA-N	319.335	4.924	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2c(F)cccc2Cl)s1	729850295	WMJRJMJJNAJEDA-YFHOEESVSA-N	305.761	4.639	50	20	DJGD	
Cc1nc(/C(C#N)=C/c2ccccc2Br)sc1C	741467426	NZRNWRXZBOJFAO-KPKJPENVSA-N	319.227	4.587	50	20	DJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2cccc(COC)c2)cc1	742349613	HUTGJXQWSLMDRW-DEDYPNTBSA-N	319.404	4.575	50	20	DJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccccc2C2CC2)c1C	750818125	PLDLFNRRFATGKB-PDGQHHTCSA-N	316.404	4.727	50	20	DJGD	
C/C(=C/c1cccc(Cl)c1)C(=O)NNc1cc(C)cc(C)c1	759658030	PCDOHHYNVZXAEO-UVTDQMKNSA-N	314.816	4.503	50	20	DJGD	
N#C/C(=C/c1ccc(SC(F)F)cc1)C(=O)C1CCCC1	781555143	CYQHGHLDYDZYPB-LCYFTJDESA-N	307.365	4.668	50	20	DJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(C)cc2)ccc1SC	154284651	DIURHYLJQBMRCZ-YBEGLDIGSA-N	323.417	4.515	50	20	DJGD	
Cc1cccc(C)c1CNC(=O)CCCC[C@H]1CCSS1	765662508	LFOYLFXSPYEUNM-HNNXBMFYSA-N	323.527	4.634	50	20	DJGD	
Cc1cc(C)cc(/C=C(/C#N)C(=O)c2ccc3ncccc3c2)c1	794885613	UJCXCTDIHCUVIH-ODLFYWEKSA-N	312.372	4.642	50	20	DJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2csc3ccccc23)cc1	810197515	ZWPMBODCWJVOBX-GXDHUFHOSA-N	318.401	4.755	50	20	DJGD	
N#C/C(=C\c1cnc(C2CCCC2)s1)C(=O)C1CCCCC1	128934019	PVOBXDLVEHSHEM-XNTDXEJSSA-N	314.454	4.857	50	20	DJGD	
N#C/C(=C\c1ccc(O)c(F)c1)c1nc(-c2ccccc2)cs1	179176116	JXVYMCNKFLNUJW-RIYZIHGNSA-N	322.364	4.719	50	20	DJGD	
CCc1oc2ccccc2c1/C=C(/C#N)C(=O)c1ccc(F)cc1	213096517	PVQBJHLEQNVPJF-KAMYIIQDSA-N	319.335	4.924	50	20	DJGD	
N#C/C(=C/c1ccccc1Br)C(=O)C1CCCCC1	767713594	LIJBHEJVYWAOSA-UVTDQMKNSA-N	318.214	4.505	50	20	DJGD	
Cc1ccsc1/C=C(/C#N)C(=O)c1c(C)[nH]c2ccccc12	107595900	NWGIPDVGLXUFPX-LCYFTJDESA-N	306.390	4.636	50	20	DJGD	
CCCCCCOc1ccc(C(=O)NN=C2CCC[C@H]2C)cc1	729144188	QTZLKBDXHJLJHV-OAHLLOKOSA-N	316.445	4.552	50	20	DJGD	
N#C/C(=C/c1ccc(-c2ccccc2F)s1)C(=O)c1ccoc1	752883110	AZADIPVMPXUUHN-LCYFTJDESA-N	323.348	4.937	50	20	DJGD	
N#C/C(=C\c1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1	753683087	LTMSQJZVMHCNAI-XYOKQWHBSA-N	317.175	4.539	50	20	DJGD	
N#C/C(=C/c1csc(-c2ccsc2)n1)C(=O)C1CCCC1	781553664	UXKWPLXRSQOBDU-QPEQYQDCSA-N	314.435	4.538	50	20	DJGD	
Oc1nc(CCl)nc2ccc(Oc3ccc(Cl)cc3)cc12	782891816	JQZYNHMBYJHDKS-UHFFFAOYSA-N	321.163	4.520	50	20	DJGD	
N#C/C(=C/C=C\c1ccc(F)c(F)c1)c1cnc2ccccc2n1	794715171	UYOJFFDUDTYCEE-KHCPYNEOSA-N	319.314	4.528	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1coc(-c2ccc(C)cc2)n1	794955457	ZLYCGVPLFCCLLY-XNTDXEJSSA-N	308.381	4.562	50	20	DJGD	
CCCCC[C@H](NC(=O)NNc1ccccc1)c1ccccc1	734275249	QXAMAGVQCABHFH-SFHVURJKSA-N	311.429	4.634	50	20	DJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3cc(C)ccc3F)n2)cc1	734980280	HZHVKYIRMHESHY-MHWRWJLKSA-N	319.339	4.557	50	20	DJGD	
Cc1cc(C)c(NNC(=O)c2cccc3ccsc23)c(C)c1	768310982	KFAVIBNBTGNASZ-UHFFFAOYSA-N	310.422	4.583	50	20	DJGD	
Cc1cc(/C=C(\C#N)c2nc(-c3ccccc3)no2)ccc1Cl	779704184	OCXNVNMIIOBWFS-XNTDXEJSSA-N	321.767	4.763	50	20	DJGD	
N#C/C(=C/c1ccc(-c2ccc(F)cc2)s1)C(=O)c1ccoc1	798229970	KHENVDUTMFORPE-ZROIWOOFSA-N	323.348	4.937	50	20	DJGD	
CCC[C@@H](C)C(=O)Nc1c(CC)cc(SC#N)cc1CC	175632779	XBVRSFPJPFORFN-GFCCVEGCSA-N	304.459	4.759	50	20	DJGD	
CCC(CC)(CNC=C(C#N)C#N)c1ccc(Cl)c(Cl)c1	728500967	AQAYHQLLHFECTL-UHFFFAOYSA-N	322.239	4.572	50	20	DJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccc(Cl)cc2F)cc1C	773164285	PRMAXPGKSSHPGT-RIYZIHGNSA-N	313.759	4.886	50	20	DJGD	
CCOc1c(Cl)cccc1/C=C(/C#N)C(=O)C(CC)CC	780004497	MVKJDVMORONAGD-UVTDQMKNSA-N	305.805	4.651	50	20	DJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)c1cccc(C(F)(F)F)c1	780374919	QWIIZDCCTOSPEC-JYRVWZFOSA-N	319.257	4.634	50	20	DJGD	
CCc1cccc(Cl)c1/C=C(\C#N)c1nc2c(C)ccnc2[nH]1	788730742	GJCHGKGCHJJBLP-UKTHLTGXSA-N	322.799	4.546	50	20	DJGD	
CCCc1sc(C(=O)NNc2cc(C)cc(C)c2)cc1CC	857491114	WYNYUBWZTFZNAY-UHFFFAOYSA-N	316.470	4.637	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cnc(-c2ccccc2)s1	172692779	VENQAGIWORVTEQ-LERPTODRSA-N	310.422	4.722	50	20	DJGD	
Cc1cccc(NNC(=O)[C@@H](C)c2c(Cl)cccc2Cl)c1	731784315	KJGHZQGCBXAQDG-NSHDSACASA-N	323.223	4.549	50	20	DJGD	
CC(C)C(=O)/C(C#N)=C/c1csc(-c2ccc(Cl)cc2)n1	915990532	NUWNGUJRDGPSBX-KPKJPENVSA-N	316.813	4.596	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1cnc(C2CCC2)s1	155220230	BHZBEADVTVMOGE-KPKJPENVSA-N	314.435	4.570	50	20	DJGD	
N#C/C(=C/c1ccc(-c2ccccc2Cl)s1)c1ccncn1	758909999	DFZIQMIAYOLPAZ-XFXZXTDPSA-N	323.808	4.923	50	20	DJGD	
N#C/C(=C/c1ccc(F)c(Cl)c1)C(=O)c1cc(F)cc(F)c1	772180015	ULCUCUCTFRQHMI-JYOAFUTRSA-N	321.685	4.547	50	20	DJGD	
Cc1ccsc1/C=C(\C#N)C(=O)c1ccc(F)c(Cl)c1	773143966	GXNJQAJTDYONMH-YRNVUSSQSA-N	305.761	4.639	50	20	DJGD	
N#C/C(=C/c1sccc1Cl)C(=O)c1cccc(Cl)c1	780003885	AAYQBTGLEWQNQO-YFHOEESVSA-N	308.189	4.845	50	20	DJGD	
Cc1ccc(NNC(=O)c2coc3ccc(C(C)C)cc23)cc1	806398909	XWMGEOLQWPEOTQ-UHFFFAOYSA-N	308.381	4.622	50	20	DJGD	
CC(C)(C)c1ncc(/C=C(\C#N)c2nc(C3CC3)cs2)s1	843272700	MRXWFBFEIDTGRE-IZZDOVSWSA-N	315.467	4.839	50	20	DJGD	
COc1cccc2cc(/C=C(/C#N)C(=O)c3sccc3C)oc12	915990160	KZEHEBJEEDJWEA-LCYFTJDESA-N	323.373	4.601	50	20	DJGD	
COc1ccc(/C=C(\C#N)c2ccc3ccccc3n2)c(Cl)c1	917144240	DBLCRNOOTYENHE-XNTDXEJSSA-N	320.779	4.961	50	20	DJGD	
N#C/C(=C/c1cc(Cl)cc(Cl)c1)C(=O)Nc1ccccc1	917516223	PNKOELDTLNTKMF-SDQBBNPISA-N	317.175	4.539	50	20	DJGD	
Fc1ccccc1-c1nnc(CCCC[C@@H]2CCSS2)o1	1327873145	MKTRIOIPNDBNRR-LLVKDONJSA-N	324.446	4.742	50	20	DJGD	
N#C/C(=C\c1cccc2ccccc12)C(=O)c1ccc(F)cc1	8202481	XSLYTODSEFBYFM-SFQUDFHCSA-N	301.320	4.769	50	20	DJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2c(Cl)cccc2Cl)o1	48639733	JBXCJJMJCPWXLU-YFHOEESVSA-N	306.148	4.685	50	20	DJGD	
COc1ccc2oc(/C=C(\C#N)C(=O)c3ccc(C)cc3)cc2c1	184839642	USAKFGITMZWOSZ-LFIBNONCSA-N	317.344	4.540	50	20	DJGD	
N#C/C(=C/c1coc2ccccc12)C(=O)c1c[nH]c2ccccc12	255105577	QIWCPDJZBVSXHI-LCYFTJDESA-N	312.328	4.704	50	20	DJGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1cccc(-c2cccnc2)c1	768467739	QZZSGJMELAWGMT-WQRHYEAKSA-N	304.393	4.661	50	20	DJGD	
Cc1nc(/C(C#N)=C/c2cc(O)cc(C(F)(F)F)c2)sc1C	811691096	JIKFJGRDAVEPRU-QDEBKDIKSA-N	324.327	4.549	50	20	DJGD	
CCSc1ccccc1C(=O)NNc1ccc(C(C)C)cc1	837055596	JXISRJLNSZAURH-UHFFFAOYSA-N	314.454	4.679	50	20	DJGD	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)OC(C)C)s2)cc1	920480245	BHOIVFMWQUQDDS-XNTDXEJSSA-N	311.406	4.582	50	20	DJGD	
N#C/C(=C/c1ccc(C(F)(F)F)cc1)C(=O)c1ccccc1F	212672915	DCURIJAHNPEAOV-XFXZXTDPSA-N	319.257	4.634	50	20	DJGD	
N#C/C(=C/c1c(F)cccc1Cl)C(=O)c1c[nH]c2ccccc12	301400964	ZBLJENZUTQANHX-FLIBITNWSA-N	324.742	4.750	50	20	DJGD	
Cn1cnc(CNc2cccc(S(F)(F)(F)(F)F)c2)c1	690236741	MCXMHJKJUFUUGE-UHFFFAOYSA-N	313.295	4.690	50	20	DJGD	
CC(C)[C@@H]1N(C(=O)CCCC[C@H]2CCSS2)CC1(C)C	817217772	HFKHFKZTBBIPCM-ZFWWWQNUSA-N	315.548	4.594	50	20	DJGD	
Cc1cccc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)c1	6627468	RODQXYZDAJAIAF-LFIBNONCSA-N	300.361	4.575	50	20	DJGD	
COCc1cccc(/C=C(\C#N)c2nc3cc(F)ccc3s2)c1	742349034	HVLPPHOXXNVKJH-RIYZIHGNSA-N	324.380	4.646	50	20	DJGD	
N#C/C(=C/c1sccc1Cl)C(=O)Nc1ccc(Cl)cc1	779221250	SXIMGIXNUUSPFA-CLFYSBASSA-N	323.204	4.601	50	20	DJGD	
C[C@@H](COC(=O)CCCC[C@H]1CCSS1)CC(F)F	842438557	DMAWFCOPRWKVMC-MNOVXSKESA-N	312.447	4.535	50	20	DJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cc(Cl)cc(Cl)c1OC	726428228	HTRDQQNEXSSOMP-WUFUFFIZSA-N	312.196	4.524	50	20	DJGD	
CC(CCc1ccccc1)=NNC(=O)c1ccc(C(C)(C)C)cc1	916323498	KOMLEMBUZIUDLS-UHFFFAOYSA-N	322.452	4.723	50	20	DJGD	
C=CCOc1cccc(/C=C(\C#N)C(=O)c2cc(C)cc(C)c2)c1	918713240	GPVCVGVBGVRFPU-XDHOZWIPSA-N	317.388	4.658	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(Br)cc1F	741471342	ZHBKTHPBJRVSNA-CEXMDJMXSA-N	324.193	4.500	50	20	DJGD	
N#C/C(=C\c1sccc1Cl)C(=O)c1cccc(Cl)c1	780003877	AAYQBTGLEWQNQO-JXMROGBWSA-N	308.189	4.845	50	20	DJGD	
CC(=O)c1cccc(NC(=O)CCCC[C@@H]2CCSS2)c1	20903420	CFYRYLOUQWQAES-OAHLLOKOSA-N	323.483	4.542	50	20	DJGD	
Cc1cccc2c1N(C(=O)CCCC[C@H]1CCSS1)CC2	762991716	XAQDMOQQWWNDLX-HNNXBMFYSA-N	321.511	4.598	50	20	DJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1ccccc1Cl)c1ccccc1	787141490	NZXVWAWFELPBEB-XOQYZJNISA-N	324.811	4.514	50	20	DJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2cnc(C(C)(C)C)s2)c1	736433687	JFRBBWAIFWRZPM-OQLLNIDSSA-N	324.449	4.847	50	20	DJGD	
Cc1cc(/C=C(/C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)c(C)o1	767887933	YWZHWPNUHWHSCB-MLPAPPSSSA-N	324.767	4.821	50	20	DJGD	
CSc1ccc(/C=C(/C#N)c2nc(C3CC3)cs2)s1	843274273	VNSRVZGTOBLBQX-POHAHGRESA-N	304.465	4.868	50	20	DJGD	
O=C(Nc1cccc(F)c1)NN(c1ccccc1)c1ccccc1	915303011	NZMUJPHLRIOPJB-UHFFFAOYSA-N	321.355	4.701	50	20	DJGD	
Cc1ccc(-c2nc(/C=C(\C#N)C(=O)c3ccsc3)co2)cc1	175324442	BOTKSCSMBGKQNM-OVCLIPMQSA-N	320.373	4.501	50	20	DJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C\c2ccc(C#N)cc2)cc1	212145797	APTXSVNWYDVDIZ-PDGQHHTCSA-N	314.388	4.646	50	20	DJGD	
C=CCCCCCC(C)=NNC(=O)c1cccc(OC(F)F)c1	789003730	IGRFPCVVUWONKU-UHFFFAOYSA-N	324.371	4.530	50	20	DJGD	
N#C/C(=C\c1sccc1Br)C(=O)C1CCCCC1	764886078	LHLMJDPWHHZBKS-DHZHZOJOSA-N	324.243	4.567	50	20	DJGD	
CSc1cc(/C(C#N)=C/c2c(C)cc(Cl)cc2C)ncn1	773175534	FPMVXIJEGIABEP-WUXMJOGZSA-N	315.829	4.533	50	20	DJGD	
N#C/C(=C/c1ccsc1Cl)c1nc(-c2ccccc2)no1	790100248	OBJNECVOYWOTKR-WQLSENKSSA-N	313.769	4.516	50	20	DJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2ccnc(Cl)c2F)s1	834441850	XLTJVVKKOXKYRE-UXBLZVDNSA-N	321.808	4.692	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/c1csc(C(F)(F)F)c1	863183796	BRKBORNGIJBMIQ-VZUCSPMQSA-N	301.333	4.679	50	20	DJGD	
CC(C)CN(C(=O)CCCC[C@@H]1CCSS1)C(C)C	727376560	QBPLHNVMRZOVLK-CQSZACIVSA-N	303.537	4.594	50	20	DJGD	
CCCCCC[C@H]1CCCC1=NNC(=O)c1ccc(C)cc1O	728157020	RAGFCAWWLVBTSN-HNNXBMFYSA-N	316.445	4.557	50	20	DJGD	
CC[C@H]1CCCC(=NNC(=O)c2c(Cl)cccc2Cl)C1	734978729	AJHQVMUXLZTEAR-JTQLQIEISA-N	313.228	4.679	50	20	DJGD	
N#C/C(=C/c1cc(Br)cs1)C(=O)C1CCCCC1	767715721	XSYMIJQMSASKCK-WDZFZDKYSA-N	324.243	4.567	50	20	DJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2cn(C(C)C)nc2C)cc1	798344226	ALHKEMXQBYLLFQ-WOJGMQOQSA-N	321.424	4.515	50	20	DJGD	
N#C/C(=C\c1cccc2ccccc12)C(=O)OC1CCCCC1	14178707	VJRBAPUZKQICST-GHRIWEEISA-N	305.377	4.623	50	20	DJGD	
CCCn1nc(C)c(/C=C(\C#N)c2nc(C(C)C)cs2)c1C	178030769	XRNOOFGEVNNBSO-RIYZIHGNSA-N	314.458	4.554	50	20	DJGD	
CCCCC1CCC(C(=O)/C(C#N)=C\c2cccc(O)c2)CC1	741470625	UDDBVLCLIMAZQE-PDGQHHTCSA-N	311.425	4.865	50	20	DJGD	
COCc1cccc(/C=C(/C#N)c2nc3cc(F)ccc3s2)c1	742349035	HVLPPHOXXNVKJH-ZSOIEALJSA-N	324.380	4.646	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc2cc(OC)ccc2c1	794874033	IRLQBIIZMAHYGG-GZTJUZNOSA-N	307.393	4.761	50	20	DJGD	
COc1ccc(Cl)cc1/C=C(/C#N)C(=O)c1sccc1C	917146137	IHVNACMFZOLNCZ-GHXNOFRVSA-N	317.797	4.508	50	20	DJGD	
Cc1ccc(NNC(=O)c2ccc3sccc3c2)cc1Cl	1319314950	VDIJIYKDYBDFSO-UHFFFAOYSA-N	316.813	4.620	50	20	DJGD	
Cc1ccccc1-c1nnc([C@@H](Br)C(C)(C)C)o1	1327932551	OUTNMHCEIYZZJS-LLVKDONJSA-N	309.207	4.527	50	20	DJGD	
COc1ccccc1/C=C(\C#N)C(=O)c1ccc(C(C)(C)C)cc1	7211507	QKNBQFNXEDIDPU-GHRIWEEISA-N	319.404	4.783	50	20	DJGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1c(C)oc2ccccc12	133016307	HDMMXBFLXOBAPC-PTNGSMBKSA-N	316.360	4.595	50	20	DJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3ccsc3)n2)cc1	255013647	DXMSMKMUKMUBMT-RIYZIHGNSA-N	324.430	4.944	50	20	DJGD	
O=C(CCCC[C@H]1CCSS1)NC1(c2ccccc2)CC1	726564113	MOQBULRXUPNEER-HNNXBMFYSA-N	321.511	4.506	50	20	DJGD	
Cc1cc(C)c(NNC(=O)[C@@H](C)c2cccc(Cl)c2)c(C)c1	743764507	PIYNELBFIFPNRS-AWEZNQCLSA-N	316.832	4.512	50	20	DJGD	
O=C(NNc1ccccc1)Nc1ccc(-c2ccccc2)cc1	743805089	FNXCESNHDYHTBD-UHFFFAOYSA-N	303.365	4.502	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2csc3ccccc23)cc1	764886316	PPMJUCBYEWSLAX-GDNBJRDFSA-N	303.386	5.000	50	20	DJGD	
CC(C)=CCC/C(C)=C\C=NNC(=O)c1cc2c(s1)CCC2	916315467	UJRAHRHBCNPXDK-IOQKDPEHSA-N	316.470	4.645	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/c1cccc(-c2cccnc2)c1	127732393	JLFZIIGPGWOAGR-XDHOZWIPSA-N	304.393	4.661	50	20	DJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2cc(C)c(O)c(C)c2)cc1	212019934	RRBJNEKXYUUUTE-UNOMPAQXSA-N	319.404	4.751	50	20	DJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2nc(Cl)cs2)cc1	759069631	ACYJERIRFJWAMN-MDWZMJQESA-N	316.813	4.539	50	20	DJGD	
Cc1nc(/C(C#N)=C\c2cc(C)c3ncccc3c2)sc1C	783710392	HFEPPQMSMZWOIE-SXGWCWSVSA-N	305.406	4.681	50	20	DJGD	
Cc1nc(/C(C#N)=C/c2ncc(C(C)(C)C)s2)sc1C	790601250	SDRDGCHFBSYSLT-IZZDOVSWSA-N	303.456	4.578	50	20	DJGD	
COc1ccc2oc(/C=C(/C#N)C(=O)c3ccccc3C)cc2c1	1319688685	KSZWGGBITACQIE-PTNGSMBKSA-N	317.344	4.540	50	20	DJGD	
Cc1cccc(-c2n[nH]cc2/C=C(\C#N)c2nc(C)c(C)s2)c1	741472561	BDRUHQXCMCOZGK-OVCLIPMQSA-N	320.421	4.523	50	20	DJGD	
CN(Cc1ccc(Cl)s1)/C(=C/C#N)c1ccc(F)cc1	750600049	PWUFILHLBIRQMW-RIYZIHGNSA-N	306.793	4.537	50	20	DJGD	
O=C(CCl)Nc1ccc(Sc2ccc(Cl)cc2)cc1	28003822	SNBBMBGHLFHSHK-UHFFFAOYSA-N	312.221	4.669	50	20	DJGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc([C@@H]3C[C@@H]3C)o2)cc1	211976240	HFBWLFDROYZCLW-HRKKEJNSSA-N	320.392	4.511	50	20	DJGD	
C=C(CBr)CN[C@H](C)c1ccc(Cl)cc1Cl	309591121	UUDJJJBTALTKRB-SECBINFHSA-N	323.061	4.595	50	20	DJGD	
N#C/C(=C\c1cscc1Cl)c1nc(-c2ccccc2)no1	771837437	JRYZJXXRPNGRLC-IZZDOVSWSA-N	313.769	4.516	50	20	DJGD	
CCc1cccc(Cl)c1/C=C(\C#N)C(=O)c1ccsc1	788734327	VWRZUIOPDHHPSD-MDWZMJQESA-N	301.798	4.754	50	20	DJGD	
Cc1ccc(F)cc1/C=C(\C#N)c1cc(C(F)(F)F)ccn1	812246008	ASKZGVAROZSSOB-WUXMJOGZSA-N	306.262	4.612	50	20	DJGD	
N#C/C(=C\c1cc(Cl)cs1)c1cc(C(F)(F)F)ccn1	812248304	JEPUZDSQOIBSRY-FPYGCLRLSA-N	314.719	4.879	50	20	DJGD	
N#C/C(=C/c1cc(Cl)cc(Cl)c1)C(=O)c1ccccc1	917517753	YROCCJXAZONWDC-MLPAPPSSSA-N	302.160	4.783	50	20	DJGD	
CC(C)C(=O)/C(C#N)=C/c1ccc(N(C)c2ccccc2)cc1	917621499	UMOPTQCIDSNWCD-GHRIWEEISA-N	304.393	4.587	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(OC)c2ccccc12	741469928	NKCCRMJOIIKMSY-QXPQOBGOSA-N	307.393	4.761	50	20	DJGD	
N#C/C(=C\c1cccc(Cl)c1)c1cc(C(F)(F)F)ccn1	812248471	NWPLGMDMRVFNEL-IZZDOVSWSA-N	308.690	4.818	50	20	DJGD	
CCn1nccc1-c1nc(CO[Si](C)(C)C(C)(C)C)cs1	864533005	FPGWCOORYHBJPN-UHFFFAOYSA-N	323.538	4.548	50	20	DJGD	
CO[C@@H]1CCN(Cc2cccc(S(F)(F)(F)(F)F)c2)C1	892068544	BBIAIPZIXZKOHW-LLVKDONJSA-N	317.323	4.565	50	20	DJGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(SC)cc2)cc1	6957073	AQKDZPYBYJMNSV-VBKFSLOCSA-N	322.433	4.517	50	20	DJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)cc1F	731490139	RZQNFZBIHKFBBQ-AWNIVKPZSA-N	322.314	4.544	50	20	DJGD	
N#C/C(=C\c1ccc(Oc2ccccc2)o1)C(=O)C1CCCC1	781553846	CZMVAMHFYDDDNO-NTCAYCPXSA-N	307.349	4.738	50	20	DJGD	
N#C/C(=C\c1ccc(Cl)cc1)c1cc(C(F)(F)F)ccn1	812246447	LQPRSIQRRISXRP-YRNVUSSQSA-N	308.690	4.818	50	20	DJGD	
CCOC[C@H](C)NCc1cccc(S(F)(F)(F)(F)F)c1	840894080	RGJPFWRBVXXOMX-JTQLQIEISA-N	319.339	4.859	50	20	DJGD	
FC(F)(F)CC1(c2ccccc2)CC(CBr)C1	1898223304	IUQIOPFTAWETMB-UHFFFAOYSA-N	307.153	4.682	50	20	DJGD	
Cc1cc(C)cc(NNC(=O)c2sccc2-c2ccccc2)c1	126568555	VGRRPGVYAKTMQO-UHFFFAOYSA-N	322.433	4.789	50	20	DJGD	
CC[C@@H]1CCCC(=NNC(=O)c2c(Cl)cccc2Cl)C1	734978731	AJHQVMUXLZTEAR-SNVBAGLBSA-N	313.228	4.679	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C=C1CCCC1	748669069	BGGHAIGSOLAYEI-UHFFFAOYSA-N	314.454	4.823	50	20	DJGD	
N#C/C(=C/c1csc2ccccc12)c1ccc([N+](=O)[O-])cc1	810195640	CLEZKGXJLANDEQ-LCYFTJDESA-N	306.346	4.874	50	20	DJGD	
O=C(/C=C\c1ccc(OCCCCl)cc1)c1ccsc1	811689423	CXDCVYFWTGEVOF-DAXSKMNVSA-N	306.814	4.652	50	20	DJGD	
CC(C)(C)Cc1nnc(CCCC[C@@H]2CCSS2)o1	1257858138	OGNGHEHGVGKGMS-LLVKDONJSA-N	300.493	4.525	50	20	DJGD	
CCCCOc1ccccc1/C=C(/C#N)c1nc2ccccc2[nH]1	33643917	PGPWUGSOVHJLIQ-SSZFMOIBSA-N	317.392	4.806	50	20	DJGD	
BrCc1nc2cc(-c3ccccc3)ccc2s1	98178158	JKZOPYMOLLPFFI-UHFFFAOYSA-N	304.212	4.858	50	20	DJGD	
N#C/C(=C/c1ccc(-c2ccccc2)o1)C(=O)c1ccsc1	255397927	BLNPWECFUNKSNA-GDNBJRDFSA-N	305.358	4.798	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccccc2C(F)(F)F)s1	729824314	ZABZTDKILVRGJY-WQLSENKSSA-N	321.323	4.865	50	20	DJGD	
N#C/C(=C\c1ccc(F)c(F)c1)C(=O)c1ccc(F)c(Cl)c1	773147073	ZFSNARRTYOUROT-VZUCSPMQSA-N	321.685	4.547	50	20	DJGD	
N#C/C(=C/c1ccc2occc2c1)C(=O)c1ccc2ncccc2c1	794690973	LNHVMAJGBXWIGY-WQRHYEAKSA-N	324.339	4.771	50	20	DJGD	
CC[C@@H](OC(=O)CCCC[C@H]1CCSS1)C(F)(F)F	835649234	LERVPHFLXPBQFS-VHSXEESVSA-N	316.410	4.585	50	20	DJGD	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)c2ccccc2C)cc1	7211005	MDBAYMKBMWYUHD-NBVRZTHBSA-N	318.420	4.631	50	20	DJGD	
COc1ccc2ccccc2c1/C=C(\C#N)C(=O)c1ccoc1C	48417542	KTNZLEHYSPVRKK-RVDMUPIBSA-N	317.344	4.540	50	20	DJGD	
CCc1cccc(C)c1NNC(=O)c1cccc(-c2ccoc2)c1	799755227	VLHOGZKQDRZGNC-UHFFFAOYSA-N	320.392	4.574	50	20	DJGD	
C[C@@H]1CCC[C@H](CNC(=O)CCCC[C@H]2CCSS2)C1	919829692	UBCLPQGYJOPNDA-ILXRZTDVSA-N	315.548	4.643	50	20	DJGD	
Cc1ccc(-c2ncc(/C=C(\C#N)C(=O)C(C)(C)C)s2)cc1	172043440	HRYKBHZDMPDTPW-NTEUORMPSA-N	310.422	4.641	50	20	DJGD	
C[C@H]1COC[C@@H]1Nc1cccc(S(F)(F)(F)(F)F)c1	688009066	MQQUZYKCGYKEGY-KWQFWETISA-N	303.296	4.791	50	20	DJGD	
Cc1cccc(C)c1/C=C(/C#N)C(=O)c1ccc(Cl)cc1F	773162538	MTFYNEIDZPBITF-JYRVWZFOSA-N	313.759	4.886	50	20	DJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cscc2Cl)c(C)c1	771838925	DHOUPNCCMJLFIT-WUXMJOGZSA-N	316.813	4.564	50	20	DJGD	
CCc1ccc(/C=C(/C#N)C(=O)c2ccc3ncccc3c2)s1	794884940	SEVZBQGCMQYMEW-PTNGSMBKSA-N	318.401	4.649	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(Cl)s2)cc1C	809145818	GTHKLVBKDCMBPJ-JYRVWZFOSA-N	301.798	4.808	50	20	DJGD	
CCCCCCNC(=O)/C(C#N)=C/c1csc2ccccc12	810215617	IGTAUDSBAMCFJI-SDNWHVSQSA-N	312.438	4.505	50	20	DJGD	
Cc1ccc(F)c(NNC(=O)c2ccc(C3CCCC3)cc2)c1	810531188	LASHYMIZZWAPOW-UHFFFAOYSA-N	312.388	4.549	50	20	DJGD	
Cc1cc(/C=C(\C#N)c2ccccn2)c(C)n1-c1ccccc1F	864235955	SNMZQSOHRIOXRI-SFQUDFHCSA-N	317.367	4.692	50	20	DJGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1ccc(-c2ccccc2F)o1	918714471	XNLFQOBTOZLBLW-JLHYYAGUSA-N	311.356	4.998	50	20	DJGD	
CCCN(C(=O)CCl)[C@@H](C)c1ccc(Cl)c(Cl)c1	1116433745	DVDOJKJSJZATFX-VIFPVBQESA-N	308.636	4.532	50	20	DJGD	
C[C@H](CNC(=O)CCCC[C@H]1CCSS1)c1ccccc1	726185370	SWZCOHFXKVSVPN-ZBFHGGJFSA-N	323.527	4.620	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cc(C)c(C)cc1OC(F)F	742434649	MBONSUGABLTCPP-PDICVPPASA-N	321.367	4.817	50	20	DJGD	
Cc1ccc(NNC(=O)CCCc2csc3ccccc23)cc1	749201180	XQSASYYVYCDKNB-UHFFFAOYSA-N	324.449	4.676	50	20	DJGD	
C/C=C(/C)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	770479293	RMYRPSKOILEWHW-CPWLGJMPSA-N	323.767	4.811	50	20	DJGD	
N#C/C(=C/c1ccc(-c2ccccc2Cl)o1)C(=O)c1ccoc1	798230150	MHWOWGPGWZLFFF-LCYFTJDESA-N	323.735	4.983	50	20	DJGD	
Cc1nc(/C(C#N)=C/c2cnc(-c3ccccc3)s2)sc1C	741473086	FMDGYXOAQQFJEA-RIYZIHGNSA-N	323.446	4.948	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(SC(F)F)cc1	781548724	GBYAPYDBKRYKIA-LCYFTJDESA-N	309.381	4.914	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C/C=C\c3ccc(F)c(F)c3)[nH]c12	794699692	FSTOFFKWCFCUBW-RGWZVXDZSA-N	321.330	4.770	50	20	DJGD	
Cc1cc(C)cc(NNC(=O)c2cc3cccc(C)c3s2)c1	809592393	GCQRHVNJULOZHS-UHFFFAOYSA-N	310.422	4.583	50	20	DJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2ccccc2C)c1C	915860038	DZJQUNNVIAWZSG-PDGQHHTCSA-N	306.409	4.613	50	20	DJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1ccc(OCC(C)C)cc1	1116004371	LSEXDRKUKLLJFU-LDADJPATSA-N	319.404	4.820	50	20	DJGD	
N#C/C(=C\c1cc(Cl)ccc1Cl)c1nc2ccccc2[nH]1	5595134	RXWBBRREAWATSS-YRNVUSSQSA-N	314.175	4.934	50	20	DJGD	
Cc1nc(/C(C#N)=C\c2cnc(C(C)(C)C)s2)sc1C	125393847	JYSGKAPHODWMEP-WDZFZDKYSA-N	303.456	4.578	50	20	DJGD	
CCc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)s1	731155537	JVZORCRERNOADZ-PKNBQFBNSA-N	316.813	4.510	50	20	DJGD	
N#C/C(=C/c1coc2ccccc12)C(=O)c1cccc(Cl)c1	746521138	VNNZESNUAUUMQL-JYRVWZFOSA-N	307.736	4.876	50	20	DJGD	
ClCCCOc1ccc(CNCc2ccc(Cl)cc2)cc1	811472580	JPVDEMQQCIXCNW-UHFFFAOYSA-N	324.251	4.638	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1csc(-c2ccsc2)n1	125522528	WPQREKQVNJZJEC-NUBYWOLOSA-N	316.451	4.784	50	20	DJGD	
N#C/C(=C/c1cc2ccccc2s1)C(=O)Nc1ccccc1F	176950197	HAAISUNKZNVWIJ-RAXLEYEMSA-N	322.364	4.586	50	20	DJGD	
N#C/C(=C/c1ccc(Cl)nc1)C(=O)c1cc2ccccc2s1	788361219	XDAQDJYSTHBKMO-QPEQYQDCSA-N	324.792	4.740	50	20	DJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(Cl)cc2)c1C	915857315	RWIZNNHUMLGIPR-WJDWOHSUSA-N	324.811	4.734	50	20	DJGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1csc(-c2cccs2)n1	77563887	OGKUZKASGLQNSF-XFFZJAGNSA-N	316.451	4.784	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccoc1C	175622635	NKMBSPAPWPMJCI-UHFFFAOYSA-N	314.410	4.538	50	20	DJGD	
CCOc1ccc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)cc1	797398054	DIKPOQZJISXKNN-UVTDQMKNSA-N	312.438	4.903	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc(F)c(Cl)c1	812768862	KIOYMSISWHPCRD-UHFFFAOYSA-N	320.795	4.668	50	20	DJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1cc(C)c2ncccc2c1	1116536786	JLVGDOOOEMZGNT-LDADJPATSA-N	312.372	4.642	50	20	DJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3ccc(F)cc3F)c[nH]c2c1	141795139	HLJMOZJOGLOEED-QPEQYQDCSA-N	322.314	4.544	50	20	DJGD	
N#C/C(=C\c1scnc1C1CC1)c1ccc2ccccc2n1	782326255	BRLWRMSIILLBBG-NTEUORMPSA-N	303.390	4.633	50	20	DJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C\c2ccc(F)cc2)cc1	915862755	VLWZIEHVDNOKHV-VBKFSLOCSA-N	307.368	4.913	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C[C@H](C)CC	191865498	NVVSFZCMOVAUMG-GFCCVEGCSA-N	304.459	4.759	50	20	DJGD	
Cc1ccc(F)cc1/C=C(/C#N)c1nc(-c2ccncc2)cs1	588394402	QTFAKEJUEMISFE-NVNXTCNLSA-N	321.380	4.717	50	20	DJGD	
Cc1cc(/C(C#N)=C/c2ccc(F)cc2Cl)ccc1[N+](=O)[O-]	774559382	PFPFQWYRJSXNSV-NTUHNPAUSA-N	316.719	4.760	50	20	DJGD	
C=CCCCCCC(C)=NNC(=O)c1cc2ccccc2cc1O	788950648	IZRQYYIQCULWFP-UHFFFAOYSA-N	324.424	4.788	50	20	DJGD	
C[C@H](C#N)CN(C)Cc1cccc(S(F)(F)(F)(F)F)c1	891716397	PPXGYFGAKSOOGN-SNVBAGLBSA-N	314.323	4.935	50	20	DJGD	
Cc1ccc(N(C)C(=O)CCCC[C@H]2CCSS2)cc1	725742165	KWRHDGYANPDMGN-HNNXBMFYSA-N	309.500	4.672	50	20	DJGD	
Cc1ccnc2[nH]c(/C(C#N)=C\c3ccc(C(C)(C)C)cc3)nc12	741474678	YDXMRXQGKKRVBW-PTNGSMBKSA-N	316.408	4.628	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C/c2occc2Br)n1	747440934	YDCFZABXTZXKPB-WEVVVXLNSA-N	323.215	4.686	50	20	DJGD	
Cc1ccc(OC(F)F)c(/C=C(\C#N)C(=O)CC(C)(C)C)c1	756784132	QLQBPHNXXNZOEY-MDWZMJQESA-N	307.340	4.509	50	20	DJGD	
N#C/C(=C\c1ccsc1)C(=O)c1c[nH]c2cc(Cl)ccc12	44027390	DVSFWZLJNUGBOP-VZUCSPMQSA-N	312.781	4.673	50	20	DJGD	
O=C(CCCC[C@H]1CCSS1)NC1CCCCCCC1	302691920	UXVGYNQEWMXSCA-HNNXBMFYSA-N	315.548	4.930	50	20	DJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3ccc(F)cc3C)c[nH]c2c1	750902098	VFMJNJMQELUBPH-DHDCSXOGSA-N	318.351	4.714	50	20	DJGD	
Cc1ccc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)cc1F	812246454	LWOOFSZMZWSCPI-SDQBBNPISA-N	306.262	4.612	50	20	DJGD	
N#C/C(=C/c1cccc(CCl)c1)c1cc(C(F)(F)F)ccn1	812248078	CODVQBDFIAHPOM-QPEQYQDCSA-N	322.717	4.903	50	20	DJGD	
CC(C)C#CC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	832213518	SXVKYRKQUQJVHL-UHFFFAOYSA-N	313.291	4.942	50	20	DJGD	
CC1(C)Cc2cccc(/C=C(\C#N)c3nc(C4CC4)cs3)c2O1	843263379	BYEAJXFYFUWTMG-OVCLIPMQSA-N	322.433	4.798	50	20	DJGD	
CCC(C)(C)C(=O)NNc1c(Cl)cc(Cl)cc1Cl	110397929	QPXVTBDLELYVJW-UHFFFAOYSA-N	309.624	4.526	50	20	DJGD	
N#C/C(=C/c1cccc(Cl)c1Cl)C(=O)c1ccc(F)cc1	213511723	RETGUQSXKHGCFI-WQLSENKSSA-N	320.150	4.922	50	20	DJGD	
Cc1ncccc1/C=C(/C#N)c1nc(-c2ccccc2)cs1	255552892	ZUIOOSXLRULNGI-YBEGLDIGSA-N	303.390	4.578	50	20	DJGD	
N#C/C(=C/c1ccc(F)cc1Cl)C(=O)c1cc(F)cc(F)c1	772176063	LEHGOTTXWUESJA-JYOAFUTRSA-N	321.685	4.547	50	20	DJGD	
Cc1cc(/C(C#N)=C/c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-]	774557935	GUKKVFYNUCHOIW-NTUHNPAUSA-N	316.719	4.760	50	20	DJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1cnc(C2CCCC2)s1	1116299113	NKSNMPGVIUKNDC-XNTDXEJSSA-N	322.433	4.899	50	20	DJGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc3ccccc3o2)cc1	11288453	BJLQNPORGISUHT-FOWTUZBSSA-N	316.360	4.541	50	20	DJGD	
N#C/C(=C/c1ccc(Cl)cc1)c1nc(-c2ccncc2)cs1	60036898	MMVKOZACVMNFIV-ZROIWOOFSA-N	323.808	4.923	50	20	DJGD	
CN(C(=O)/C(C#N)=C/c1cccc2ccccc12)C1CCCCC1	303501560	YRRVHKVSFMVZKP-NBVRZTHBSA-N	318.420	4.538	50	20	DJGD	
N#C/C(=C/c1ccc(F)nc1)c1nc2cc(Cl)ccc2s1	588524072	XBMVBOJJLBFZIR-YHYXMXQVSA-N	315.760	4.548	50	20	DJGD	
Cc1ccc(F)c(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)c1	734980186	GLHWTKCWCQEXMX-XNTDXEJSSA-N	318.351	4.714	50	20	DJGD	
O=C(CC1CCCC1)NN=CC(c1ccccc1)c1ccccc1	749449991	REOREARFOPSZBV-UHFFFAOYSA-N	320.436	4.501	50	20	DJGD	
N#C/C(=C/c1cc(Cl)ccc1Cl)C(=O)c1ccsc1	753682850	JZEDVCRPQNSFPH-WZUFQYTHSA-N	308.189	4.845	50	20	DJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cc(Cl)cc(C(F)(F)F)c1	780153720	RUFVLLABVDZUAI-VMDVGJCFSA-N	315.722	4.881	50	20	DJGD	
N#C/C(=C/c1ccsc1)c1nc(-c2ccc(C#N)cc2)cs1	63279072	BUNZABWIZRVUTP-CHHVJCJISA-N	319.414	4.807	50	20	DJGD	
CCCCCO[C@H](CBr)c1cccc(Cl)c1	71125472	FDMOZGSNWRVDJK-CYBMUJFWSA-N	305.643	4.983	50	20	DJGD	
CCc1ccc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)no2)cc1	212181775	SPWVAEXXNCMCDL-PDGQHHTCSA-N	315.376	4.672	50	20	DJGD	
CCCCC1CCC(C(=O)/C(C#N)=C/c2cncs2)CC1	255908169	KPPNVZVBNBRENP-OQLLNIDSSA-N	302.443	4.616	50	20	DJGD	
CC(C)(C)c1ccc(C(=O)NNc2ccc(Cl)c(F)c2)cc1	746699131	YBETZCGBEDRQMG-UHFFFAOYSA-N	320.795	4.534	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(F)cc1C(F)(F)F	771859446	MUFLIBVPLIWOSH-CEXMDJMXSA-N	313.294	4.757	50	20	DJGD	
CN(C(=O)CCCC[C@@H]1CCSS1)[C@H]1CCC(C)(C)C1	794268647	BDUBJTCRCYHMBP-UONOGXRCSA-N	315.548	4.738	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc3occc3c2)cc1C	809145850	HRMUDTBKMNBHFB-WQRHYEAKSA-N	301.345	4.840	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cnc(C(C)(C)C)s2)cc1C	809160306	MGIAZZRFHRJEDG-OQLLNIDSSA-N	324.449	4.847	50	20	DJGD	
O=C(NN=Cc1c2ccccc2c(Cl)c2ccccc12)C1CC1	916290593	ARYVPGFYKDYHFK-UHFFFAOYSA-N	322.795	4.507	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2ccc(OC(C)C)cc2)c1C	727655558	YCKVLQHMGHLOSY-LDADJPATSA-N	319.404	4.881	50	20	DJGD	
Cc1cc(/C(C#N)=C/c2cc(F)cc(Cl)c2)ccc1[N+](=O)[O-]	776720162	IKARNRGZRVYHJA-WLRTZDKTSA-N	316.719	4.760	50	20	DJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)cs2)c1C	779752153	ONXWFQSTRJTPJZ-SDQBBNPISA-N	316.813	4.564	50	20	DJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2ccc(C#N)cc2F)s1	797399092	OCSAOMYVYVYOKZ-QPEQYQDCSA-N	311.385	4.516	50	20	DJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2ccc(OC)c(C)c2)cc1	810203161	XBIBGGIGLOGJMS-CPNJWEJPSA-N	319.404	4.746	50	20	DJGD	
O=C(CCCC[C@H]1CCSS1)Nc1cc(C2CC2)ccn1	811952483	ITNTXSVQPJSNSN-AWEZNQCLSA-N	322.499	4.612	50	20	DJGD	
N#C/C(=C/c1cccs1)C(=O)Nc1cc(Cl)cc(Cl)c1	212142278	YINKZZSMXCTPHN-WTKPLQERSA-N	323.204	4.601	50	20	DJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccc(Cl)cc2F)cc1C	773164286	PRMAXPGKSSHPGT-ZSOIEALJSA-N	313.759	4.886	50	20	DJGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(\C#N)C(=O)c2ccc(Cl)s2)o1	783687389	ILHQGTXNFGSVRQ-DTHKZTQTSA-N	317.797	4.908	50	20	DJGD	
C[C@@H]1C[C@@H]1C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	918559291	NEHLQMOFCCJPNO-LWINAJNOSA-N	323.767	4.500	50	20	DJGD	
CCCOc1cccc(/C=C(/C#N)C(=O)c2cc(C)cc(C)c2)c1	918714534	ZBIPTLJKKRPCSG-UNOMPAQXSA-N	319.404	4.882	50	20	DJGD	
C[C@@H](O)CCCNCc1cccc(S(F)(F)(F)(F)F)c1	922074111	NSBLKPSTNLUSIR-SNVBAGLBSA-N	319.339	4.595	50	20	DJGD	
CC[C@@H](NCc1cccc(S(F)(F)(F)(F)F)c1)[C@H](C)O	922157206	AQVQMHRDJULIFO-JOYOIKCWSA-N	319.339	4.593	50	20	DJGD	
Cc1ccsc1/C=C(\C#N)C(=O)c1c(C)[nH]c2ccccc12	5070409	NWGIPDVGLXUFPX-UKTHLTGXSA-N	306.390	4.636	50	20	DJGD	
C#CCCOc1ccc(/C=C(/C#N)c2nc(C(C)C)cs2)cc1	83015542	YHCCKSJTHIAXHI-WJDWOHSUSA-N	322.433	4.733	50	20	DJGD	
Cc1c(C#N)cccc1NC(=O)CCCC[C@@H]1CCSS1	178395013	SDSBTJGBQHHINC-CQSZACIVSA-N	320.483	4.519	50	20	DJGD	
CC(C)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184412488	ZCSMTLKJAMTQQN-UHFFFAOYSA-N	304.284	4.874	50	20	DJGD	
CCCC(CCc1ccccc1)=NNC(=O)c1ccccc1C	740760873	OZGHRRLATZNAQC-UHFFFAOYSA-N	308.425	4.514	50	20	DJGD	
Cc1cccc(NNC(=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)c1	746681998	PFYDFKJNIBLDSL-NSHDSACASA-N	323.223	4.549	50	20	DJGD	
COc1ccc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)s1	797400029	ZKJJROVSSFKQHP-JXMROGBWSA-N	304.440	4.575	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cccc(CCl)c2)c1C	799893607	TYFLOKJTQMTOEC-LICLKQGHSA-N	309.796	4.832	50	20	DJGD	
CC(C)CCOc1ccc(/C=C(/C#N)C(=O)c2ccccc2)cc1	915841624	RURHDFWBBPYPML-RGEXLXHISA-N	319.404	4.901	50	20	DJGD	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(C)c1	6410795	LSSYHOLRUXDNGP-XNTDXEJSSA-N	310.784	4.503	50	20	DJGD	
CC(C)CC[C@@H]1CCCC1=NNC(=O)c1cccc(Cl)c1	727253506	GQDWNCXYYJUZPL-ZDUSSCGKSA-N	306.837	4.662	50	20	DJGD	
Cc1cccc(NNC(=O)C(C)(C)c2ccc3ccccc3c2)c1	768933854	HELXKDMDABKGOL-UHFFFAOYSA-N	318.420	4.569	50	20	DJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3cc(C)cc(C)c3)n2)cc1	921262267	RVYCSBMIBNDZJQ-WOJGMQOQSA-N	315.376	4.726	50	20	DJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2coc3ccccc23)c(C)c1	160199480	ZCWPLVBANFQPCH-XNTDXEJSSA-N	316.360	4.595	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1coc(C)c1	188102950	NTPIOXYVGWVXEE-UHFFFAOYSA-N	314.410	4.538	50	20	DJGD	
COc1cc(/C(C#N)=C/C(C)=C\c2ccccc2)ccc1[N+](=O)[O-]	774558320	BAWJCESEZCKEPT-AIXGLBGOSA-N	320.348	4.614	50	20	DJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2cccc(O)c2Cl)s1	834441461	KHUDMFJRHDJILS-XFFZJAGNSA-N	318.829	4.864	50	20	DJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)[C@@H]1CC1(F)F	294922679	JJDPHLGLBPCCNS-QMMMGPOBSA-N	323.233	4.938	50	20	DJGD	
CC[C@]1(C)CCCN(C(=O)CCCC[C@H]2CCSS2)C1	742863058	ORZNCHZXPXTZNN-GOEBONIOSA-N	315.548	4.739	50	20	DJGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1ccc(C(F)(F)F)s1	761383604	CVKRFYBDFGFMDJ-RMKNXTFCSA-N	301.333	4.679	50	20	DJGD	
Cc1ccc(NNC(=O)c2ccc(Oc3ccccc3)cc2)cc1	912596351	JNMJEAHUDBYSSQ-UHFFFAOYSA-N	318.376	4.544	50	20	DJGD	
Cc1ccc(/C=C(/C#N)c2nc(-c3ccc(C#N)cc3)cs2)o1	63454615	WLBSJHQJODBJOU-NVNXTCNLSA-N	317.373	4.647	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccccc2C(F)(F)F)cc1	98031170	QELSQDGUJPVHNX-GDNBJRDFSA-N	315.294	4.804	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C/c2ccc(-n3cccn3)cc2)n1	255427634	SHCNALYNOBBFDD-XNTDXEJSSA-N	320.421	4.516	50	20	DJGD	
N#C/C(=C\c1ccccc1Cl)C(=O)c1ccc(Cl)s1	783687748	MRPGHILQXAYGSX-JXMROGBWSA-N	308.189	4.845	50	20	DJGD	
N#C/C(=C/C=C\c1ccccc1)C(=O)Nc1cccc2ccccc12	915844777	KBUACQNYQCCXDA-PQKWBZNXSA-N	324.383	4.942	50	20	DJGD	
COc1ccc(/C=C(/C#N)c2ccc3ccccc3n2)c(Cl)c1	917144239	DBLCRNOOTYENHE-GDNBJRDFSA-N	320.779	4.961	50	20	DJGD	
N#C/C(=C/c1cccnc1Cl)c1nc(-c2ccccc2)cs1	255604920	NVJRSDDIBKZPED-ZROIWOOFSA-N	323.808	4.923	50	20	DJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C\c2ccc(O)c(F)c2)cc1	755408523	ZYUVZUAQSZBKGR-GDNBJRDFSA-N	323.367	4.619	50	20	DJGD	
CCCN(N=CCSCc1ccccc1)C(=O)OC(C)(C)C	794997633	ZJDABHQLKFDQOS-UHFFFAOYSA-N	322.474	4.553	50	20	DJGD	
C[C@@H]1CCCC[C@H]1N(C)C(=O)CCCC[C@H]1CCSS1	913509038	RIXJOVWNJZJCEO-QLFBSQMISA-N	315.548	4.738	50	20	DJGD	
CN(C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1)C1CC1	192259643	CXPPNSKTVXTJJG-UHFFFAOYSA-N	316.295	4.970	50	20	DJGD	
Cc1nc(/C(C#N)=C\c2cnc(C3CCC3)s2)sc1C	760264158	KFIKGRQUWBKEQV-SDQBBNPISA-N	301.440	4.548	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cc(Cl)cs2)c1C	780004116	FBDGQSVMAUHAFJ-SDQBBNPISA-N	301.798	4.808	50	20	DJGD	
CC[C@H](C)C(=O)/C(C#N)=C/C(C)=C/c1ccccc1OC(F)F	811689664	IURMJBJJQOTPHT-NGAWEABGSA-N	319.351	4.756	50	20	DJGD	
N#C/C(=C/c1cccc(Cl)c1)C(=O)c1c[nH]c2cc(F)ccc12	915990904	RLNGSQRNXSOFOO-SDQBBNPISA-N	324.742	4.750	50	20	DJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C/c1ccsc1C	490979924	ZHUONJZYJOADQF-GZTJUZNOSA-N	324.449	4.727	50	20	DJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(SC(F)(F)F)cc1	726428463	MKAJDIVOYIOBGB-ZDIKFAODSA-N	313.344	4.821	50	20	DJGD	
COc1ccc2cc(/C=C(/C#N)C(=O)c3ccoc3C)ccc2c1	211208132	IZSHIHKKJSFLOC-YVLHZVERSA-N	317.344	4.540	50	20	DJGD	
CC(C)(O)CCNc1cccc(S(F)(F)(F)(F)F)c1	690185721	RGNXWFZMKFAZLD-UHFFFAOYSA-N	305.312	4.917	50	20	DJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1csc(-c2ccc(C)cc2)n1	726428069	DSNZADUBEBXBLV-MLJKTZRHSA-N	310.422	4.641	50	20	DJGD	
CCCCCCCOc1cccc(/C=C(/C#N)c2ccncn2)c1	758916138	OPJZBSHHPXAEQN-AQTBWJFISA-N	321.424	4.890	50	20	DJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C\c2cccc(C#N)c2)cc1	834721912	JITBRIGKWHKLOR-PDGQHHTCSA-N	314.388	4.646	50	20	DJGD	
CCCCC[C@H](C)NC(=O)CCCC[C@H]1CCSS1	849367546	AVHFHWGJIIAALO-KBPBESRZSA-N	303.537	4.786	50	20	DJGD	
CCOc1ccccc1/C=C(\C#N)C(=O)c1cccc(Cl)c1	11297296	YZRRKKBRSBBHEE-XNTDXEJSSA-N	311.768	4.529	50	20	DJGD	
CO[C@@H](C)CC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	183392429	YQAPIXABQRXGFP-QMMMGPOBSA-N	319.295	4.708	50	20	DJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1sccc1Cl	195222690	CAWDJKFFPRFANF-WQLSENKSSA-N	316.813	4.564	50	20	DJGD	
Cc1ccc(-c2nc(/C=C(/C#N)c3nc(C)c(C)s3)co2)cc1	749895014	VBJZNYRWEFVVCR-NVNXTCNLSA-N	321.405	4.788	50	20	DJGD	
CSc1ccc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)cc1	783714868	NBTANQKVJMBKSD-FLIBITNWSA-N	319.838	4.913	50	20	DJGD	
Cc1ccccc1COC(=O)CCCC[C@H]1CCSS1	786590932	YRGHGGSVEDLJMR-HNNXBMFYSA-N	310.484	4.752	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cccc2ccccc12	915989889	HEFFKWMBYQTUPN-WJDWOHSUSA-N	303.386	5.000	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(OC(C)C)cc2)s1	105570557	RTNLWCLUFUQKDN-GDNBJRDFSA-N	311.406	4.634	50	20	DJGD	
N#C/C(=C\c1ccc(-c2ccccc2)o1)C(=O)c1ccsc1	193584551	BLNPWECFUNKSNA-XNTDXEJSSA-N	305.358	4.798	50	20	DJGD	
CCCN(N=C1CCC[C@H](C(F)(F)F)C1)C(=O)OC(C)(C)C	497044203	GRMVKJXLLZGBLD-NSHDSACASA-N	322.371	4.742	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cccc(OC(C)C)c2)c1C	727653862	AYHCIBOUMBOSAB-WQRHYEAKSA-N	319.404	4.881	50	20	DJGD	
CC[C@@H]1CCC[C@@H](NC(=O)CCCC[C@H]2CCSS2)C1	740845765	NETPUBAOGBEHTP-KFWWJZLASA-N	315.548	4.786	50	20	DJGD	
Cc1csc(/C(C#N)=C/c2csc(Cl)c2Cl)n1	761391255	HOAAJWXQDRCINH-FARCUNLSSA-N	301.223	4.884	50	20	DJGD	
C/C(=C/C(=O)NNc1cc(Cl)cc(Cl)c1)c1ccccc1	791726411	HHUFLOWCXMDBRS-XFFZJAGNSA-N	321.207	4.540	50	20	DJGD	
CCc1cccc(C)c1NNC(=O)c1csc2ccccc12	799756703	JIAWSTAUEGCJBL-UHFFFAOYSA-N	310.422	4.529	50	20	DJGD	
CCc1cccc(C)c1NNC(=O)[C@H](C)c1ccc(Cl)s1	799758645	VHUNYXODDBVINY-LLVKDONJSA-N	322.861	4.519	50	20	DJGD	
N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1	915841630	SDSLDRMHPHDLRZ-MDWZMJQESA-N	302.160	4.783	50	20	DJGD	
C[C@@H]1CCCC[C@H]1CNC(=O)CCCC[C@H]1CCSS1	920297696	RMUBJOIKXZTSBT-ILXRZTDVSA-N	315.548	4.643	50	20	DJGD	
Cc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)cc1Cl	193742447	XLEVDTODVJZUHF-CXUHLZMHSA-N	324.811	4.811	50	20	DJGD	
CCCc1cc(C(=O)NNc2c(C)cc(C)cc2C)sc1C	743764685	PJXQHNVZTAYDDH-UHFFFAOYSA-N	316.470	4.691	50	20	DJGD	
N#C/C(=C\c1ccc(-c2ccccc2Cl)s1)c1ccncn1	758909995	DFZIQMIAYOLPAZ-FMIVXFBMSA-N	323.808	4.923	50	20	DJGD	
C=CCNC(=S)Nc1cccc(S(F)(F)(F)(F)F)c1	762445362	VBNDBGNJOBAOSC-UHFFFAOYSA-N	318.336	4.816	50	20	DJGD	
Cc1cc(/C(C#N)=C\c2coc3ccccc23)ccc1[N+](=O)[O-]	774560037	VBVUCLSFLZDFCJ-ZROIWOOFSA-N	304.305	4.714	50	20	DJGD	
C[C@@H]1Cc2ccccc2N1C(=O)CCCC[C@H]1CCSS1	913189100	YSHJEEOVRWBNAX-HIFRSBDPSA-N	321.511	4.678	50	20	DJGD	
CCn1c(C)cc(/C=C(/C#N)C(=O)c2cc3ccccc3o2)c1C	728287642	UQMJRSTZTSLQES-YVLHZVERSA-N	318.376	4.661	50	20	DJGD	
CCOc1cccc(/C=C(\C#N)c2nc3cc(F)ccc3s2)c1	730150083	GYRQEAKAVHAZCE-MDWZMJQESA-N	324.380	4.898	50	20	DJGD	
Cc1ccc(-c2csc(/C(C#N)=C/c3c(C)noc3C)n2)cc1	747099829	IPGREZSYTTXGBR-OVCLIPMQSA-N	321.405	4.788	50	20	DJGD	
CSc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)s1	798231951	MPGZFCCFOPXCFJ-FLIBITNWSA-N	324.430	4.741	50	20	DJGD	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1C	915982549	JYGLJTHIGMKAIL-XNTDXEJSSA-N	310.784	4.503	50	20	DJGD	
CCc1ccc(/C=C(/C#N)c2nc(-c3ccncc3)cs2)cc1	60036998	PTOOVKBOTCJBOG-BOPFTXTBSA-N	317.417	4.832	50	20	DJGD	
Cc1nc(/C(C#N)=C\c2ccc(C(F)(F)F)cc2)sc1C	125415602	QJLANMUWUURECR-GHXNOFRVSA-N	308.328	4.843	50	20	DJGD	
N#C/C(=C\c1ccccc1Cl)C(=O)c1ccc(Cl)cc1F	773153145	AKPFMCYIQGBAAN-YRNVUSSQSA-N	320.150	4.922	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccsc1C(F)(F)F	863190156	NRDJUICNZWPRHX-JXMROGBWSA-N	301.333	4.679	50	20	DJGD	
COc1ccc(/C=C(/C#N)c2ccc3ccccc3n2)cc1C	917144740	MUBROZULCBHEGV-ATVHPVEESA-N	300.361	4.616	50	20	DJGD	
Cc1cc(/C=C(/C#N)c2ccc3ccccc3n2)cc(C)c1O	917145161	SPKIPQGCJOSTGF-BOPFTXTBSA-N	300.361	4.621	50	20	DJGD	
N#C/C(=C\c1cccc(Cl)c1Cl)C(=O)c1ccc(F)cc1	7350252	RETGUQSXKHGCFI-XYOKQWHBSA-N	320.150	4.922	50	20	DJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2ccc(F)c(F)c2)cc1	8321447	VTTXLILHUIEWKL-MHWRWJLKSA-N	311.331	4.707	50	20	DJGD	
COc1ccc(/C=C(\C#N)c2nc(C(C)C)cs2)cc1Cl	176916661	SNVAGUCUZXGIOV-WUXMJOGZSA-N	318.829	4.993	50	20	DJGD	
CC(C)n1cc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)cn1	255398253	WXEQQJCCQNCLTN-PXNMLYILSA-N	320.421	4.652	50	20	DJGD	
CC(CCC1CCCCC1)=NNC(=O)c1cc(Cl)ccc1O	731924482	CLHKFLWFPZBPQO-UHFFFAOYSA-N	322.836	4.512	50	20	DJGD	
O=C(NNc1cccc(C(F)(F)F)c1)C1CCCCCCC1	743300144	ZUVOBXYPGHIUPF-UHFFFAOYSA-N	314.351	4.509	50	20	DJGD	
Cc1cc2cc(/C=C(/C#N)C(=O)Nc3ccccc3)oc2cc1C	749808757	BHXYYXIYLUBGNV-WJDWOHSUSA-N	316.360	4.595	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cc(F)cc(C(F)(F)F)c1	794875821	ZORZAXLTOFRBOD-VZUCSPMQSA-N	313.294	4.757	50	20	DJGD	
N#C/C(=C\c1ccc(Cl)c(F)c1)C(=O)c1c[nH]c2ccccc12	921259760	YLICHBATNQQMKM-KPKJPENVSA-N	324.742	4.750	50	20	DJGD	
Cc1ccc(NNC(=O)c2ccc3c(c2)oc2ccccc23)cc1	1328896584	LDFXNIWMLWSCLG-UHFFFAOYSA-N	316.360	4.651	50	20	DJGD	
CC[C@@H](Cl)c1nc2sc(C)c(-c3ccccc3)c2c(=O)[nH]1	43554245	WFJNSXXQOJSHFU-LLVKDONJSA-N	318.829	4.650	50	20	DJGD	
CN(C(=O)/C(C#N)=C\c1ccc2ccccc2c1)C1CCCCC1	732716282	NFRIMNHAVFMZJX-RGEXLXHISA-N	318.420	4.538	50	20	DJGD	
N#C/C(=C\c1c(F)cccc1Cl)C(=O)c1cc(F)cc(F)c1	772177384	VMICOLDQYQMGAW-UXBLZVDNSA-N	321.685	4.547	50	20	DJGD	
N#C/C(=C/c1cccc2ccccc12)c1nc(-c2ccccc2)no1	916131245	FIDNFYHLNNTRTG-AQTBWJFISA-N	323.355	4.954	50	20	DJGD	
CCc1ccc(C(=O)NN=C(C)C23CC4CC(CC(C4)C2)C3)cc1	916329671	SJBPGVRWLCATHF-UHFFFAOYSA-N	324.468	4.571	50	20	DJGD	
Cc1cc(C)cc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)c1	921259436	SAYVHFYLOGWAPP-MHWRWJLKSA-N	300.361	4.575	50	20	DJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1csc2ccccc12	1322000970	NCWZJMOLDGTDJL-GXDHUFHOSA-N	303.386	5.000	50	20	DJGD	
C[C@H](c1ccccc1)N(C)C(=O)CCCC[C@H]1CCSS1	52917690	PFODRPMABMWNSB-ZBFHGGJFSA-N	323.527	4.920	50	20	DJGD	
CCCOc1cccc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)c1	735618763	FRNRIZBMPAOBGF-WJDWOHSUSA-N	317.392	4.724	50	20	DJGD	
N#C/C(=C/c1cscc1Cl)c1cc(C(F)(F)F)ccn1	812246213	GKYZDGAFZWKFBV-BAQGIRSFSA-N	314.719	4.879	50	20	DJGD	
Cc1cnc([C@H](C)N2CCC[C@@H](O[Si](C)(C)C(C)(C)C)C2)o1	844335610	GQOZTKWCCIFLPT-LSDHHAIUSA-N	324.541	4.530	50	20	DJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2ccc([C@@H]3C[C@@H]3C)o2)c1	918735253	GJVMZUPOZYKUTJ-XBJPGOICSA-N	305.377	4.810	50	20	DJGD	
Cc1cc(C)c(NNC(=O)c2ccc(CC(C)C)cc2)c(C)c1	743762517	ZQBOCIJSYLZWIC-UHFFFAOYSA-N	310.441	4.567	50	20	DJGD	
Cc1cscc1NC(=O)NNc1cc(Cl)cc(Cl)c1	792338878	YKKUVSYIEADNRW-UHFFFAOYSA-N	316.213	4.512	50	20	DJGD	
N#C/C(=C\c1nc(-c2ccccc2)cs1)C(=O)C1CCCCC1	130192446	RGUBYDSPRRPNRG-LFIBNONCSA-N	322.433	4.866	50	20	DJGD	
COc1ccc(Cl)cc1/C=C(\C#N)c1nc(C(C)C)cs1	747440117	PVDLGBDOCJHKNA-WUXMJOGZSA-N	318.829	4.993	50	20	DJGD	
Cc1ccc([C@@H](C)NCc2ccc(OCCCCl)cc2)cc1	811474932	UDYIAKOUDUSHIG-MRXNPFEDSA-N	317.860	4.854	50	20	DJGD	
COCc1ccccc1/C=C(C)/C=C(/C#N)C(=O)c1ccccc1	814188237	XODGPYOAWUVXEK-UVBZOIGOSA-N	317.388	4.569	50	20	DJGD	
Cc1ccccc1C(=O)/C(C#N)=C/C=C\c1ccc(F)c(F)c1	1257399584	RLGYLSXMHIJDAB-QUGKNYOSSA-N	309.315	4.619	50	20	DJGD	
CCCC(CCC)=NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	4953035	RSJCUDCLGUJQIC-GFCCVEGCSA-N	306.475	4.559	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C/c2ncc(-c3ccccc3)[nH]2)n1	588598251	BWLFYORDUIUQDF-RIYZIHGNSA-N	320.421	4.721	50	20	DJGD	
Cc1csc(/C(C#N)=C\c2ccc(C(F)(F)F)s2)n1	761390758	FNVXCRCFHPQGCN-YWEYNIOJSA-N	300.330	4.596	50	20	DJGD	
COc1ccsc1/C=C(/C#N)c1nc(-c2ccccc2)cs1	764413248	XRHIGQMUOXJFSC-LCYFTJDESA-N	324.430	4.944	50	20	DJGD	
N#C/C(=C/c1cccc2ccccc12)C(=O)c1cccc(F)c1	772179823	RTBBCIKESKFYIA-BOPFTXTBSA-N	301.320	4.769	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2ccc3cnccc3c2)c1C	780006205	XUNPXKSCGURWRT-ODLFYWEKSA-N	312.372	4.642	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(C(C)C)c([N+](=O)[O-])c1	726118736	PXDGEZOIRKDVGQ-DHDCSXOGSA-N	314.385	4.630	50	20	DJGD	
CC(=C\c1cccc([N+](=O)[O-])c1)/C=C(\C#N)C(=O)C1CCCCC1	787172047	SEJPFHSOLVJBJR-JMRZXEDWSA-N	324.380	4.597	50	20	DJGD	
Cc1cccc(C)c1CNCc1ccc(OCCCCl)cc1	811484667	GXQXDMSQTNVQHR-UHFFFAOYSA-N	317.860	4.601	50	20	DJGD	
N#C/C(=C\c1cscc1C(F)(F)F)C(=O)c1ccccc1	811625998	ABXIZWKFBYQABY-IZZDOVSWSA-N	307.296	4.557	50	20	DJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1csc(-c2ccc(C)cc2)n1	726428068	DSNZADUBEBXBLV-GULXKOIASA-N	310.422	4.641	50	20	DJGD	
Cc1cccc(C)c1/C=C(\C#N)C(=O)c1ccc(Cl)cc1F	773162541	MTFYNEIDZPBITF-MDWZMJQESA-N	313.759	4.886	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H]1CC[C@H](C)C1	776299994	SKQYVCZNNFALMJ-SWLSCSKDSA-N	316.470	4.759	50	20	DJGD	
N#C/C(=C/c1ccc(Oc2ccccc2)o1)C(=O)C1CCCC1	781553847	CZMVAMHFYDDDNO-QINSGFPZSA-N	307.349	4.738	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/C(C)=C/c1ccccc1COC	814188895	XEAWHCQYKJYQLW-RRRJGDELSA-N	311.425	4.692	50	20	DJGD	
CC(C)n1cncc1/C=C(/C#N)C(=O)c1ccc(C(C)(C)C)cc1	901437836	VNJHXKNAJQSINF-YBEGLDIGSA-N	321.424	4.551	50	20	DJGD	
CCCCC1CCC(C(=O)/C(C#N)=C\c2cncs2)CC1	130092163	KPPNVZVBNBRENP-DHDCSXOGSA-N	302.443	4.616	50	20	DJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2cscc2Cl)c1	771838253	NRYPRMCXOSMRQJ-AWNIVKPZSA-N	301.798	4.808	50	20	DJGD	
Cc1cc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)ccc1C#N	797399635	VBZBQIQYKLQTLQ-NVNXTCNLSA-N	307.422	4.685	50	20	DJGD	
CCCc1cc(O)nc(/C(=C/c2cccc(CCl)c2)CC)n1	799892766	OZRSQWDKMTXDEN-XNTDXEJSSA-N	316.832	4.824	50	20	DJGD	
N#C/C(=C/c1cc(Cl)cs1)c1cc(C(F)(F)F)ccn1	812248303	JEPUZDSQOIBSRY-BAQGIRSFSA-N	314.719	4.879	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc(Cl)c(F)c1	812768588	XNRRZXGKGZKFEK-UHFFFAOYSA-N	320.795	4.668	50	20	DJGD	
Cc1ccc(NC(=O)CCCC[C@@H]2CCSS2)c(C)c1	33981085	BNDCSNUBXFFZPY-CQSZACIVSA-N	309.500	4.956	50	20	DJGD	
CC(C)COc1ccc(/C=C(\C#N)C(=O)c2ccsc2)cc1	730150372	SYDQWZQDIYMKLJ-CXUHLZMHSA-N	311.406	4.573	50	20	DJGD	
Cc1cc(/C=C(\C#N)C(=O)C2CCCC2)c(OC(F)F)cc1C	781555811	PNMLCBUZAWGIPY-OQLLNIDSSA-N	319.351	4.571	50	20	DJGD	
N#C/C(=C\c1coc2ccccc12)C(=O)c1ccc(Cl)s1	783687685	OATGMXASXSSQMN-JXMROGBWSA-N	313.765	4.938	50	20	DJGD	
CCc1cccc2c(/C=C(/C#N)c3nc(C)c(C)s3)c[nH]c12	125395684	LIEXUHQEOMRDOR-ZSOIEALJSA-N	307.422	4.868	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cc(F)ccc1Br	761206838	XVYVVCBIGAJCRW-CEXMDJMXSA-N	324.193	4.500	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc(F)ccc1Br	761206840	XVYVVCBIGAJCRW-QVIVLVACSA-N	324.193	4.500	50	20	DJGD	
COCc1cccc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)c1	797399481	SJLUWJJBYZVUHV-DHDCSXOGSA-N	312.438	4.651	50	20	DJGD	
Cc1ccccc1NNC(=O)c1ccc(Oc2ccccc2)cc1	865529867	TVXVBPKCQPKBSV-UHFFFAOYSA-N	318.376	4.544	50	20	DJGD	
Cc1occc1C(=O)/C(C#N)=C/c1cc(F)cc(C(F)(F)F)c1	157216996	WOWSWVMDSSAXFL-NYYWCZLTSA-N	323.245	4.536	50	20	DJGD	
CSc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)cc1	774558500	KWUUAJSIKAZLRX-XNTDXEJSSA-N	310.378	4.689	50	20	DJGD	
CCOc1ccc(/C=C(/C#N)C(=O)c2cccc(C)c2C)cc1F	780005081	SBXKZUYRALCTKF-YBEGLDIGSA-N	323.367	4.631	50	20	DJGD	
N#C/C(=C/c1cc(-c2ccccc2)cs1)C(=O)c1ccoc1	798230326	PGWKGXAWPVNMLC-NVNXTCNLSA-N	305.358	4.798	50	20	DJGD	
CC(=C/c1ccccc1)/C=C(\C#N)C(=O)c1c[nH]c2ccccc12	212840125	CHZOZLSMILRDGP-AJGWWKNYSA-N	312.372	4.904	50	20	DJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2occc2C)cc1	742349523	GIMABKDKWMXGBO-YYTPVVGHSA-N	308.381	4.647	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C\c2csc(C3CC3)n2)n1	747436423	DEEZGZVRVGOGKH-WZUFQYTHSA-N	301.440	4.665	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1coc(-c2ccccc2)n1	749892923	VLJVGFKTRUFFTF-NTEUORMPSA-N	320.373	4.501	50	20	DJGD	
CCSc1cccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c1	769742478	INDRYEIXWSVDEE-GDNBJRDFSA-N	310.378	4.771	50	20	DJGD	
CC(C[C@@H](C)CC(C)C)=NNC(=O)c1cc2ccccc2o1	779774696	KELJLDUSPCTZAB-ZDUSSCGKSA-N	300.402	4.611	50	20	DJGD	
N#C/C(=C\c1cccc(F)c1)C(=O)c1cc2ccccc2s1	788326616	FZJRJKAPYCJBHW-RIYZIHGNSA-N	307.349	4.830	50	20	DJGD	
Cc1cc(C)cc(/C=C(\C#N)C(=O)c2ccc3ncccc3c2)c1	794885614	UJCXCTDIHCUVIH-YBFXNURJSA-N	312.372	4.642	50	20	DJGD	
N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)C(=O)c1ccccc1	915841354	GSJDUHKMXCFPDZ-VBKFSLOCSA-N	317.319	4.876	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccccc2OC(C)C)s1	105570831	HORFPMQOVDYANE-GDNBJRDFSA-N	311.406	4.634	50	20	DJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3cc(F)ccc3F)c[nH]c2c1	141800325	NSVYVXYYPCJTCC-QPEQYQDCSA-N	322.314	4.544	50	20	DJGD	
COc1ccccc1-c1ccc(/C=C(/C#N)C(=O)CC(C)C)cc1	741467019	JDJFIVUTVGJQFY-AQTBWJFISA-N	319.404	4.884	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cc(C)ccc1OC(F)F	756789310	WVXAMNVXUFZRII-ZMTLZGASSA-N	307.340	4.509	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1c(C)oc2ccccc12	759035986	SWTIHVXBFALYDV-UKTHLTGXSA-N	307.374	4.901	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc(Cl)cc1	812761610	CFPDBLMBZVYJNU-UHFFFAOYSA-N	302.805	4.529	50	20	DJGD	
Cc1ccc(/C=C(/C#N)c2nc(-c3ccncc3)cs2)s1	60037008	BAAQUTPKVNPCOI-JYRVWZFOSA-N	309.419	4.639	50	20	DJGD	
OCCCCCNc1cccc(S(F)(F)(F)(F)F)c1	186151060	LSUOJJCIFHBSEJ-UHFFFAOYSA-N	305.312	4.919	50	20	DJGD	
CC(C)(C)[C@@H]1CCCN1C(=O)CCCC[C@H]1CCSS1	729402766	YHAVBSXGQAHDEC-KBPBESRZSA-N	315.548	4.738	50	20	DJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(Oc2cccnc2)c(C)c1	732714915	ZZFQZOLDZLNKDP-FMNVXAMXSA-N	320.392	4.705	50	20	DJGD	
Cc1cccc(NNC(=O)CCCc2ccc3ccccc3c2)c1	776222194	IEVKZZHPAJJXNS-UHFFFAOYSA-N	318.420	4.614	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc3ccccc3o2)cc1C	809145771	FVKMUBOPTJJHSS-GZTJUZNOSA-N	301.345	4.840	50	20	DJGD	
CC(C)=CCC/C(C)=C/C=NNC(=O)c1ccc2ccccc2n1	916242948	PGTNNIZHHNUKAS-YUTCYTODSA-N	321.424	4.643	50	20	DJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccc(Cl)cc2F)s1	179607912	BPQMXBXUIFAQEK-UXBLZVDNSA-N	305.761	4.639	50	20	DJGD	
COc1ccc2cc(/C=C(\C#N)c3nc(C)c(C)s3)ccc2c1	741473030	DWUUKFQUUNYMLQ-RQZCQDPDSA-N	320.417	4.986	50	20	DJGD	
Cc1ccoc1/C=C(\C#N)C(=O)c1cc(Cl)cc(Cl)c1	742349371	NIJFSGKJKAEPNO-IZZDOVSWSA-N	306.148	4.685	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2coc(-c3ccccc3)n2)s1	749893052	XCIBUWMFLOLGNP-NTEUORMPSA-N	320.373	4.501	50	20	DJGD	
Cc1ccc(OC(F)F)c(/C=C(/C#N)C(=O)CC(C)(C)C)c1	756784131	QLQBPHNXXNZOEY-JYRVWZFOSA-N	307.340	4.509	50	20	DJGD	
CCC[C@H](C(=O)NNc1c(F)cccc1Cl)c1ccccc1	770198377	ZBNDTAKIHYBPFW-ZDUSSCGKSA-N	320.795	4.506	50	20	DJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccc(Cl)cc2F)c(C)c1	773153227	BIKWAMMFYZKLOC-RIYZIHGNSA-N	313.759	4.886	50	20	DJGD	
CCOc1ccc(/C=C(\C#N)C(=O)c2cccc(C)c2C)cc1F	780005079	SBXKZUYRALCTKF-MHWRWJLKSA-N	323.367	4.631	50	20	DJGD	
Cc1cccc(-c2[nH]ncc2/C=C(/C#N)c2nc(C)c(C)s2)c1	125435278	BDRUHQXCMCOZGK-NVNXTCNLSA-N	320.421	4.523	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cnc(C3CCCC3)s2)cc1	588467537	QOHBNTGRNZZOEJ-YBEGLDIGSA-N	322.433	4.899	50	20	DJGD	
CC[C@H](C(=O)NN=Cc1csc2ccccc12)c1ccccc1	731932246	DTEJLUBHLJLVIM-INIZCTEOSA-N	322.433	4.545	50	20	DJGD	
Cc1ccoc1/C=C(/C#N)C(=O)c1cc(Cl)cc(Cl)c1	742349375	NIJFSGKJKAEPNO-WDZFZDKYSA-N	306.148	4.685	50	20	DJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)cs2)c1C	779752154	ONXWFQSTRJTPJZ-WUXMJOGZSA-N	316.813	4.564	50	20	DJGD	
CC(C)(C)c1ccc(NNC(=O)Nc2ccc3[nH]ccc3c2)cc1	780540926	SKHWCEPQLHIZPW-UHFFFAOYSA-N	322.412	4.614	50	20	DJGD	
CCCN(N=C(C)CCc1cccc(F)c1)C(=O)OC(C)(C)C	794996556	SWDWRFJQCYQMFK-UHFFFAOYSA-N	322.424	4.781	50	20	DJGD	
N#C/C(=C/c1cccc(Oc2ccccc2)c1)C(=O)c1ccoc1	798230917	VAQZVDFOHSIYSK-BOPFTXTBSA-N	315.328	4.862	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cccc(OC(C)C)c1	120857878	VUTWIDDOGZTMOV-DHDCSXOGSA-N	311.406	4.634	50	20	DJGD	
N#C/C(=C/c1cc2ccccc2o1)C(=O)c1cc(F)cc(F)c1	194536360	FUTXEVLVXVFQNB-JYRVWZFOSA-N	309.271	4.501	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(OC)c2ccccc12	741469925	NKCCRMJOIIKMSY-IZCBMXNHSA-N	307.393	4.761	50	20	DJGD	
COc1cc(/C=C(/C#N)c2nc(C3CC3)cs2)ccc1Cl	863193494	QIQSFDUDAMSAMG-SDQBBNPISA-N	316.813	4.747	50	20	DJGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc([C@@H]3C[C@H]3C)o2)cc1	8117400	HFBWLFDROYZCLW-FKARIMHRSA-N	320.392	4.511	50	20	DJGD	
N#C/C(=C\c1ccccc1Cl)C(=O)c1cccc(Cl)c1	11297222	SRNONLUMIJQLIL-MDWZMJQESA-N	302.160	4.783	50	20	DJGD	
Cc1nc(/C(C#N)=C\c2cccc(OC(F)(F)F)c2)sc1C	125421928	CZLIBULHKRBWJH-SDQBBNPISA-N	324.327	4.723	50	20	DJGD	
CCOc1cccc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)c1	588424602	PMPWFMQPMICJMZ-WQLSENKSSA-N	317.797	4.590	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccc(Cl)nc1Cl	761474966	AWQHRAVFLYKAAB-POHAHGRESA-N	323.204	4.548	50	20	DJGD	
O=C(CCCC[C@H]1CCSS1)OC/C(Cl)=C/Cl	763897415	SLGWSRFNDAEYMO-RNKPRXRFSA-N	315.287	4.563	50	20	DJGD	
O=C(CCCC[C@H]1CCSS1)OCc1ccc(F)cc1	786590251	LUYMSHHYGRTZDX-AWEZNQCLSA-N	314.447	4.583	50	20	DJGD	
N#C/C(=C/c1cscc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1	811685022	HFHAAONPBOCCIM-YHYXMXQVSA-N	324.283	4.739	50	20	DJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2c(F)cccc2F)cc1	915852422	MGTDHCCHYZIHPS-RVDMUPIBSA-N	311.331	4.707	50	20	DJGD	
Cc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c(C)c1	213092093	LSSYHOLRUXDNGP-GDNBJRDFSA-N	310.784	4.503	50	20	DJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C\c2cccnc2Cl)cc1	728700768	WKAFCYSAYJOLHG-PTNGSMBKSA-N	324.811	4.822	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(C(F)(F)F)cc2)cc1	764888263	VGGVDNDIQRQNIV-XNTDXEJSSA-N	315.294	4.804	50	20	DJGD	
N#C/C(=C\c1cnc(-c2cccs2)s1)C(=O)C1CCCC1	781554364	NKLGIGBNDZWUSD-XYOKQWHBSA-N	314.435	4.538	50	20	DJGD	
N#C/C(=C/c1cc(C#N)cs1)c1nc(-c2ccccc2)cs1	176840915	BJGQRKYFRPWMDD-AUWJEWJLSA-N	319.414	4.807	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C/c3ccc([C@@H]4C[C@H]4C)o3)[nH]c12	735669460	PLURDEPDKCYURO-JXBCQSMISA-N	303.365	4.652	50	20	DJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cc(Cl)c(OC)cc1Cl	753889766	SPFPMPCURIMVIV-QQCYMQAYSA-N	312.196	4.524	50	20	DJGD	
CCC[C@@H]1CCCCN1C(=O)CCCC[C@H]1CCSS1	754594502	HYDGTTKAFNGONW-CABCVRRESA-N	315.548	4.882	50	20	DJGD	
C/C(=C/c1ccccc1Cl)C(=O)NNc1cc(C)ccc1C	756013531	XEGOTYUOSZXMNI-KAMYIIQDSA-N	314.816	4.503	50	20	DJGD	
N#C/C(=C/c1cccc(Cl)c1F)C(=O)c1cc(F)cc(F)c1	772179904	SSMQHEUSERACJA-WCIBSUBMSA-N	321.685	4.547	50	20	DJGD	
N#C/C(=C/c1ccc(F)c(F)c1)C(=O)c1ccc(F)c(Cl)c1	773147074	ZFSNARRTYOUROT-WZUFQYTHSA-N	321.685	4.547	50	20	DJGD	
CC[C@H](C)c1ccc([C@@H](NC(=O)CCl)c2cccs2)cc1	1116437710	NTOCHXNRNLEOBO-YVEFUNNKSA-N	321.873	4.706	50	20	DJGD	
CCCCCOc1ccc(/C=C(\C#N)C(=O)c2ccoc2C)cc1	7714419	VFZAWISAPMYPIS-GHRIWEEISA-N	323.392	4.947	50	20	DJGD	
CCCCOc1ccc(/C=C(\C#N)C(=O)c2ccoc2C)cc1	8237949	DXXFGJBTMBZFMA-FOWTUZBSSA-N	309.365	4.557	50	20	DJGD	
N#C/C(=C/c1csc(Cl)c1Cl)C(=O)C1CCCC1	761383499	BJVSYLQPOYGUCT-UITAMQMPSA-N	300.210	4.721	50	20	DJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1Cl	779706973	KAFGQDOFPDUFLB-MHWRWJLKSA-N	324.811	4.811	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc3occc3c2)cc1C	809145849	HRMUDTBKMNBHFB-WOJGMQOQSA-N	301.345	4.840	50	20	DJGD	
COc1cc(Cl)c(/C=C(/C#N)C(=O)C2CCCC2)cc1Cl	781556527	YYXQGFPPLHXTNE-SDQBBNPISA-N	324.207	4.668	50	20	DJGD	
C[C@H](C=NNC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1	916324983	XPUNFAALQHCIGB-OAHLLOKOSA-N	308.425	4.503	50	20	DJGD	
CC(CCC1CCCCC1)=NNC(=O)c1cc2c(s1)CCC2	731923884	ILSKGPJVFNEKPQ-UHFFFAOYSA-N	318.486	4.703	50	20	DJGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc(F)c(Cl)c1Cl	761383408	ACXIDPSASJWSOG-POHAHGRESA-N	300.160	4.655	50	20	DJGD	
COc1ccc(Oc2ccc(/C=C(\C#N)C(=O)C(C)C)cc2)cc1	783689077	RHKCLPPAUNJUOL-FOWTUZBSSA-N	321.376	4.620	50	20	DJGD	
C[C@@H]1CCCC[C@@H]1CNC(=O)CCCC[C@@H]1CCSS1	920297709	RMUBJOIKXZTSBT-RBSFLKMASA-N	315.548	4.643	50	20	DJGD	
Cc1cc(/C(C#N)=C/c2coc3ccccc23)ccc1[N+](=O)[O-]	774560034	VBVUCLSFLZDFCJ-NTEUORMPSA-N	304.305	4.714	50	20	DJGD	
N#C/C(=C\c1cccs1)C(=O)c1c[nH]c2cc(Cl)ccc12	44027377	GXNSNRVDLDWACR-UXBLZVDNSA-N	312.781	4.673	50	20	DJGD	
C[C@@H]1COC[C@H]1Nc1cccc(S(F)(F)(F)(F)F)c1	688009070	MQQUZYKCGYKEGY-LDYMZIIASA-N	303.296	4.791	50	20	DJGD	
CC(C)CC[C@@H]1CCCC1=NNC(=O)c1cc2c(s1)CCC2	727254760	YHBRRTHXTQBJRY-ZDUSSCGKSA-N	318.486	4.559	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1ccc2c(c1)CC(C)(C)O2	729150887	PQXYPJLXPLSOJZ-OQLLNIDSSA-N	323.417	4.560	50	20	DJGD	
Cc1cc(C)cc(NNC(=O)[C@H](C)c2ccc3ccccc3c2)c1	748381203	VCQPHWCDOJSSRH-MRXNPFEDSA-N	318.420	4.703	50	20	DJGD	
N#C/C(=C\c1cnc(-c2cccs2)s1)C(=O)c1ccccc1	751511843	COJNYVCAVAYKKN-UKTHLTGXSA-N	322.414	4.661	50	20	DJGD	
Cc1ccoc1/C=C(\C#N)C(=O)c1ccc(F)c(C(F)(F)F)c1	773146104	WBEMWASTBXPRNN-YRNVUSSQSA-N	323.245	4.536	50	20	DJGD	
Cc1ccc(NNC(=O)CCCc2ccc3ccccc3c2)cc1	776222747	STMRSTSTMWASRK-UHFFFAOYSA-N	318.420	4.614	50	20	DJGD	
N#C/C(=C/c1ccc(Cl)s1)C(=O)c1ccc2ncccc2c1	794883778	DIGRIOCSZGFUSC-LCYFTJDESA-N	324.792	4.740	50	20	DJGD	
Cc1cc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)cnc1Cl	797399009	NPQXXJVQOHDHFG-WUXMJOGZSA-N	317.845	4.862	50	20	DJGD	
Cc1ccc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)cn1	154260667	UIRXIGWKEQKESR-SXGWCWSVSA-N	303.390	4.578	50	20	DJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccc(Cl)s1	209885291	AHBUAEQNFYCMLN-WQLSENKSSA-N	316.813	4.564	50	20	DJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cccc(OCc2ccccc2)c1	726427969	CAOUMFVJFBLBRK-PUMYGXPMSA-N	319.404	4.788	50	20	DJGD	
Cc1cc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)ccc1F	729150979	SIZGZKHDBPUMRA-NTUHNPAUSA-N	322.314	4.544	50	20	DJGD	
CC(C)COc1ccc(/C=C(/C#N)C(=O)c2ccc(F)cc2)cc1	730151596	NSHOIKCERQXMCZ-BOPFTXTBSA-N	323.367	4.650	50	20	DJGD	
CCc1ccc(-c2ccc(C(=O)NNc3cccc(C)c3)o2)cc1	743301718	RMJPMKVZDQZBBR-UHFFFAOYSA-N	320.392	4.574	50	20	DJGD	
Cc1cccc([C@H](C)C(=O)NNc2ccc(Cl)cc2Cl)c1	748017982	AREXYIFLOGOTHZ-NSHDSACASA-N	323.223	4.549	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cccc(C(F)(F)F)c2)cc1	764892288	VMKFXLLRYHOSCQ-OQLLNIDSSA-N	315.294	4.804	50	20	DJGD	
N#C/C(=C\c1ccsc1Cl)c1nc(-c2ccccc2)no1	790100256	OBJNECVOYWOTKR-XYOKQWHBSA-N	313.769	4.516	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(OCCCCl)cc1	811691720	SMAXUVSFNJFCNM-QINSGFPZSA-N	319.832	4.607	50	20	DJGD	
N#C/C(=C/c1ccccc1Cl)c1nc(-c2ccncc2)cs1	60036888	SJVFSHSMMCFHJH-ZROIWOOFSA-N	323.808	4.923	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C/c3cc(C)n(C4CC4)c3C)[nH]c12	735669424	MZMAZDXXJHHGTB-MHWRWJLKSA-N	316.408	4.689	50	20	DJGD	
N#C/C(=C/c1ccccc1Cl)C(=O)c1ccc(Cl)cc1F	773153143	AKPFMCYIQGBAAN-XFFZJAGNSA-N	320.150	4.922	50	20	DJGD	
O=C(NN=C1CC(c2ccccc2)C1)c1cccc2ccccc12	814855361	KJZAMGXQAVFSLD-UHFFFAOYSA-N	314.388	4.503	50	20	DJGD	
CC(C)(C)[Si](C)(C)OCc1csc(-c2ccncc2)n1	864533099	KNZRXOSXJFOYON-UHFFFAOYSA-N	306.507	4.727	50	20	DJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2cc3ccccc3o2)c(C)c1	916131170	PZNHSDQGEIVOMK-YVLHZVERSA-N	301.345	4.840	50	20	DJGD	
O=C(C1CCC(Cl)CC1)N1CC2(CCC2)[C@@H]1c1ccccc1	1347009688	PMLDTXKYYRZUPZ-JCYILVPMSA-N	317.860	4.538	50	20	DJGD	
O=C(Nc1ccc(Oc2ccccc2Cl)cc1)[C@H](F)Cl	2088605266	RMAGLELEBDGNDE-ZDUSSCGKSA-N	314.143	4.605	50	20	DJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3ccc(C)o3)n2)cc1	5618358	CYVWAUSBEXAOMR-ZROIWOOFSA-N	322.389	4.784	50	20	DJGD	
Cc1ccc(C)c(Sc2ccc(NC=C(C#N)C#N)cc2)c1	15241332	DKACLGMREDRDIJ-UHFFFAOYSA-N	305.406	4.798	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1occc1C	175622769	QZIUOPRHYVRTSC-UHFFFAOYSA-N	314.410	4.538	50	20	DJGD	
Cc1cc(/C=C(/C#N)c2nc3cc(F)ccc3s2)ccc1C#N	766291473	ZLRBGKQWFAKFSC-AUWJEWJLSA-N	319.364	4.680	50	20	DJGD	
CC(C)(C)c1ccc(NNC(=O)[C@@H](c2ccccc2)C2CC2)cc1	780803442	GNECKXHYXXRPNB-IBGZPJMESA-N	322.452	4.621	50	20	DJGD	
CCc1cccc(C)c1NNC(=O)c1cc(Cl)ccc1Cl	799756518	CUBTZLGPAVCKGS-UHFFFAOYSA-N	323.223	4.621	50	20	DJGD	
FS(F)(F)(F)(F)c1cccc(CN[C@@H]2CCSC2)c1	840894591	WZYGUKJGBRQOQR-SNVBAGLBSA-N	319.364	4.939	50	20	DJGD	
Cc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)c(C)c1	6410999	CMPVPEQLBXVXFI-YBFXNURJSA-N	318.420	4.774	50	20	DJGD	
Cc1ccc(F)cc1NC(=O)CCCC[C@H]1CCSS1	61476124	RTRZYMFMVLUXHO-ZDUSSCGKSA-N	313.463	4.787	50	20	DJGD	
C[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](c2ccncc2N)C1	203798048	HNURBQJQUBJECZ-RRFJBIMHSA-N	320.553	4.958	50	20	DJGD	
C/C(C=NNC(=O)c1cccc2ccccc12)=C/c1ccccc1	254738564	GOLLMEXJGQFEGV-HONCEOSKSA-N	314.388	4.659	50	20	DJGD	
Cc1nc(/C(C#N)=C/c2cc(C)c3ncccc3c2)sc1C	783710390	HFEPPQMSMZWOIE-CXUHLZMHSA-N	305.406	4.681	50	20	DJGD	
CC(C)c1ccc(NNC(=O)c2sccc2C2CC2)cc1	837055542	HXDCNPVHGWAKNH-UHFFFAOYSA-N	300.427	4.506	50	20	DJGD	
CC(C)(C)c1ncc(/C=C(/C#N)c2nc(C3CC3)cs2)s1	843272710	MRXWFBFEIDTGRE-WDZFZDKYSA-N	315.467	4.839	50	20	DJGD	
N#C/C(=C/c1cccc(CCl)c1)c1nc(C2CC2)cs1	843274023	VIZCRDMTKMUJPI-AUWJEWJLSA-N	300.814	4.823	50	20	DJGD	
C=CCOc1cccc(/C=C(/C#N)c2ccc3ccccc3n2)c1	917144332	GDGRWJZGMGBVKU-AQTBWJFISA-N	312.372	4.864	50	20	DJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc([C@H]2C[C@H]2C)o1	8117358	BKLILRBQXJYMLT-FIOCRVBZSA-N	320.392	4.566	50	20	DJGD	
COc1ccc2ccccc2c1/C=C(\C#N)C(=O)c1ccccc1	14150511	SBSCKRJLLNZSDV-GHRIWEEISA-N	313.356	4.638	50	20	DJGD	
CC(C)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	129673122	VVYWYSDWXRWBTR-NSHDSACASA-N	311.756	4.500	50	20	DJGD	
N#C/C(=C/c1ccc(-c2ccccc2)s1)C(=O)c1ccco1	212657830	QDQORTIVZXPCIJ-KAMYIIQDSA-N	305.358	4.798	50	20	DJGD	
Cc1ccc(C)c(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)c1	301399720	OSSQMDYMAQHAFC-YBEGLDIGSA-N	300.361	4.575	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C\c3cnc(C4CCC4)s3)[nH]c12	760209918	JJVLLYAPLODLCX-JYRVWZFOSA-N	320.421	4.660	50	20	DJGD	
Cc1cc(/C=C(\C#N)C(=O)c2cccc(C(F)(F)F)c2)c(C)o1	780527944	PSUSSFVKOKNJLT-VGOFMYFVSA-N	319.282	4.705	50	20	DJGD	
N#C/C(=C/c1ccc(C(F)F)cc1)c1ccc([N+](=O)[O-])cc1	794926039	HSMJQHHYYGLYGM-ZROIWOOFSA-N	300.264	4.597	50	20	DJGD	
CC[C@@H]1CCCC[C@@H]1NC(=O)CCCC[C@H]1CCSS1	915084416	JOYGUBVGJJIPDF-ILXRZTDVSA-N	315.548	4.786	50	20	DJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3cc(F)ccc3F)c[nH]c2c1	63413084	NSVYVXYYPCJTCC-NTUHNPAUSA-N	322.314	4.544	50	20	DJGD	
N#C/C(=C/c1cc2ccccc2o1)C(=O)c1c[nH]c2ccccc12	125182478	QFTHTWQOYRBNCN-UVTDQMKNSA-N	312.328	4.704	50	20	DJGD	
C/C(=C\C(=O)NNc1cc(Cl)ccc1Cl)c1ccccc1	752810131	FUQOFOLOJUPCRV-PKNBQFBNSA-N	321.207	4.540	50	20	DJGD	
CCCOc1cccc(/C=C(/C#N)C(=O)c2ccc(C)cc2)c1	764891027	IXOASRILOFQMTN-PDGQHHTCSA-N	305.377	4.574	50	20	DJGD	
CCCCOc1ccccc1/C=C(/C#N)C(=O)c1ccoc1C	767352094	NNXHNJIWUVIATB-VBKFSLOCSA-N	309.365	4.557	50	20	DJGD	
Cc1ccc(NNC(=O)c2ccc(C(C)(F)F)cc2)cc1Cl	1325112558	SYWVBVXLTQAUAE-UHFFFAOYSA-N	324.758	4.517	50	20	DJGD	
Cc1ccc(C)c(/C=C(/C#N)C(=O)c2cc3ccccc3o2)c1	216147146	ZRMCFXOTRZSLSP-YVLHZVERSA-N	301.345	4.840	50	20	DJGD	
CCCCCCOc1ccc(C(=O)NN=C(CC)C2CC2)cc1	741161652	CIGSJKVRJIRFIN-UHFFFAOYSA-N	316.445	4.552	50	20	DJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2ccc(F)c(C#N)c2)s1	797406058	AHXHXDYUWUOTPR-QPEQYQDCSA-N	311.385	4.516	50	20	DJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2cccs2)cc1	915852675	JDYBWZGAEFHGMK-WZMONFQBSA-N	310.422	4.807	50	20	DJGD	
C=C[C@H](COC)NCc1cccc(S(F)(F)(F)(F)F)c1	1262354126	ZOTOHBBFOJXMFC-LLVKDONJSA-N	317.323	4.635	50	20	DJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1cccc(OC(C)C)c1	1318046666	DWJYLCVYAMCYLS-GZTJUZNOSA-N	305.377	4.572	50	20	DJGD	
COc1ccc(/C=C(/C#N)c2ccccn2)cc1OCCC(C)C	50234267	ICDBBDPJUMMFFX-ATVHPVEESA-N	322.408	4.579	50	20	DJGD	
N#C/C(=C/c1ccc(O)cc1)c1nc2cc(Cl)ccc2s1	96998066	LLHXPDKUYZIIQB-XFFZJAGNSA-N	312.781	4.719	50	20	DJGD	
COc1ccc(Cl)cc1/C=C(/C#N)c1nc2cccc(C)c2[nH]1	735619413	MUDIYWNOPPJFTI-JYRVWZFOSA-N	323.783	4.598	50	20	DJGD	
Cc1cc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)cnc1Cl	783687288	HMTBCWXCKIMVJZ-YHYXMXQVSA-N	323.204	4.548	50	20	DJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/C(C)=C\c1ccccc1OC(F)F	811689665	IURMJBJJQOTPHT-PDWVIWOUSA-N	319.351	4.756	50	20	DJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2cccc(F)c2C#N)s1	811691508	PPCCMYQRARTTGZ-GHXNOFRVSA-N	311.385	4.516	50	20	DJGD	
O=C(NN=Cc1ccc2ccccc2c1)c1ccc2ccccc2c1	917547291	OVUJLXIJSDQYHD-UHFFFAOYSA-N	324.383	4.757	50	20	DJGD	
N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)c1ccccc1F	8201718	XFXNEXJYQSDHKD-YRNVUSSQSA-N	320.150	4.922	50	20	DJGD	
CCc1ccc(/C=C(/C#N)C(=O)c2cc3ccccc3o2)s1	731157169	SZEOOIRBZIRTHE-LCYFTJDESA-N	307.374	4.847	50	20	DJGD	
CC[C@H](CC(=O)NNc1cccc(Cl)c1)c1ccc(C)cc1	737787244	IUFGVLVVOZMLLZ-CQSZACIVSA-N	316.832	4.675	50	20	DJGD	
Cc1cc(C)c(NNC(=O)c2cc3cc(C)c(C)cc3o2)c(C)c1	743762389	STRGGEFESDKPKY-UHFFFAOYSA-N	322.408	4.732	50	20	DJGD	
CC(C)CC1(CNC(=O)CCCC[C@@H]2CCSS2)CC1	756988242	NTRBLHZPXSVNFK-CQSZACIVSA-N	315.548	4.643	50	20	DJGD	
C/C(N)=C(\C#N)c1nc(-c2ccccc2)c(-c2ccccc2)s1	798227464	HDTAGAKGHRDPRV-SSZFMOIBSA-N	317.417	4.690	50	20	DJGD	
Cc1nc(/C(C#N)=C\c2cccc3c2OC(C)(C)C3)sc1C	125449740	SETWVVNOEZQKIK-NVNXTCNLSA-N	310.422	4.538	50	20	DJGD	
Cc1ccc(/C=C(/C#N)c2nc3ccccc3n2C(F)F)cc1	255084381	YHTOCSYSSSVJGD-UVTDQMKNSA-N	309.319	4.804	50	20	DJGD	
CC(CCC1CCCCC1)=NNC(=O)c1ccc2ccccc2n1	731922532	HLLFONPPMSMAGH-UHFFFAOYSA-N	323.440	4.701	50	20	DJGD	
CC(=C/c1ccccc1)/C=C(/C#N)c1ccc([N+](=O)[O-])c(C)c1	774559810	SLWHFBQRYNSTAI-LQHTZKGQSA-N	304.349	4.914	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cc(F)cc(Cl)c1	776721203	ZRRUSYWHGMELBI-WCIBSUBMSA-N	305.761	4.639	50	20	DJGD	
CC(C)[C@H]1N(C(=O)CCCC[C@H]2CCSS2)CC1(C)C	817217769	HFKHFKZTBBIPCM-DZGCQCFKSA-N	315.548	4.594	50	20	DJGD	
N#C/C(=C/c1ccccc1Cl)C(=O)c1cc2ccccc2o1	916131576	ZNVGMPKRZDOBQP-ZROIWOOFSA-N	307.736	4.876	50	20	DJGD	
O=C(NN=C1CC[C@@H]2CCCC[C@@H]2C1)c1ccc2ccccc2c1	917547570	VXNBFSVQJOROPB-FUHWJXTLSA-N	320.436	4.916	50	20	DJGD	
CN(N=Cc1ccc(-c2ccccc2)cc1)C(=O)OC(C)(C)C	920381467	SKICPTBDGJHSMM-UHFFFAOYSA-N	310.397	4.554	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(Br)c(C)c1	746392795	FOONPXHHWFLHRV-ZROIWOOFSA-N	320.230	4.670	50	20	DJGD	
N#C/C(=C/c1ccc(C2CCCC2)cc1)c1ccc([N+](=O)[O-])cn1	812245556	UNFJYILJVGYUHN-BOPFTXTBSA-N	319.364	4.712	50	20	DJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1cc(C)n(C2CC2)c1C	1317701983	ZACHOKILCOPZDX-BOPFTXTBSA-N	304.393	4.538	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc(C)c(C)cc1OC(F)F	742350059	ZOHLSQDUAZDQCM-DHDCSXOGSA-N	321.367	4.817	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(Br)c(C)c1	746393949	MYIJCYVVDUTUNY-HOXUKUGESA-N	320.230	4.670	50	20	DJGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1ccc(F)c(C(F)(F)F)c1	755404977	DOPUAPYNZMUQHP-WDZFZDKYSA-N	313.294	4.757	50	20	DJGD	
Cc1cc(/C=C(/C#N)c2nc3ccccc3n2C)ccc1Cl	779706518	GMFXWNDPDUYVHX-UVTDQMKNSA-N	307.784	4.599	50	20	DJGD	
CCC[C@@H](NC(=O)NNc1ccccc1Cl)c1ccccc1	915913817	CICLWQZAFOHDHU-OAHLLOKOSA-N	317.820	4.508	50	20	DJGD	
N#C/C(=C/c1cc(F)ccc1F)C(=O)c1cc2ccccc2o1	915985511	MOIIHLRFPAFBQG-QPEQYQDCSA-N	309.271	4.501	50	20	DJGD	
Cc1ccc(/C=C(/C#N)c2nc(-c3ccncc3)cs2)cc1C	66408176	BXIKBPIFGPSIHB-YVLHZVERSA-N	317.417	4.886	50	20	DJGD	
O=C(NN=C1CCCCCCC1)c1c(Cl)cccc1Cl	727781702	VPPNOXLLKFVCBC-UHFFFAOYSA-N	313.228	4.824	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2ccc([C@@H]3C[C@@H]3C)o2)c1C	727827557	HAILLRMNAAAEAY-AYWTTXROSA-N	305.377	4.810	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(C(F)(F)F)s1	761387358	VFBSVHICWQHIAZ-YFHOEESVSA-N	301.333	4.679	50	20	DJGD	
Cc1ccc(F)cc1/C=C(/C#N)c1nc2cc(F)ccc2s1	777872353	RCYLQEFJGIYWQD-SDQBBNPISA-N	312.344	4.947	50	20	DJGD	
CC(C)c1ncc(/C=C(\C#N)C(=O)c2ccc(Cl)s2)s1	783688343	VNDCCHWHPSXUGQ-WEVVVXLNSA-N	322.842	4.771	50	20	DJGD	
N#C/C(=C\c1ccc(F)c(Cl)c1Cl)C(=O)c1ccoc1	806556335	BNGSSMCSVNATGR-BJMVGYQFSA-N	310.111	4.515	50	20	DJGD	
CN1/C(=C/C=C(\C#N)C(=O)CC(C)(C)C)C(C)(C)c2ccccc21	918733359	PGYKIZMVQHNLPF-RRRJGDELSA-N	322.452	4.753	50	20	DJGD	
CC[C@@H](C)c1ccc([C@@H](NC(=O)CCl)c2cccs2)cc1	1116437708	NTOCHXNRNLEOBO-SJKOYZFVSA-N	321.873	4.706	50	20	DJGD	
N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1	218376	GKLXWPVMTHZHRX-FMIVXFBMSA-N	317.175	4.539	50	20	DJGD	
Cc1ccc(/C=C(\C#N)c2nc(-c3ccncc3)cs2)cc1C	63412675	BXIKBPIFGPSIHB-LICLKQGHSA-N	317.417	4.886	50	20	DJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(F)c(C)c2)c1C	729151287	WMYRYULUWFPBHL-BOPFTXTBSA-N	324.399	4.752	50	20	DJGD	
CCCN(N=C1CCC[C@H]1CCCF)C(=O)OC(C)(C)C	794993054	OCDNLEKLXTVCQD-ZDUSSCGKSA-N	300.418	4.539	50	20	DJGD	
Cc1ccc(F)c(/C=C(/C#N)c2ncc(C(C)(C)C)s2)c1	797399520	SYXONDOQYZTULN-JYRVWZFOSA-N	300.402	4.952	50	20	DJGD	
Cc1ccc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)c(C)c1	812246725	SQRMWYZEOCXLPK-RIYZIHGNSA-N	302.299	4.781	50	20	DJGD	
CCCn1cccc1/C=C(\C#N)C(=O)c1ccc(C(C)(C)C)cc1	918184841	SUGYHZRTOXDRKQ-SAPNQHFASA-N	320.436	4.985	50	20	DJGD	
COc1ccc2cc(/C=C(\C#N)C(=O)c3ccccc3)ccc2c1	7155879	VRMMUCHPSBGKRT-XDHOZWIPSA-N	313.356	4.638	50	20	DJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1ccc(C(F)(F)F)cc1	7211032	HADLXYHECRYNPD-GXDHUFHOSA-N	315.294	4.804	50	20	DJGD	
CCc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1	213100034	IUJSGALWOJPXIH-WJDWOHSUSA-N	324.811	4.757	50	20	DJGD	
CCc1cccc2c(/C=C(\C#N)C(=O)c3ccc(C)s3)c[nH]c12	729823139	KGGAZSISOGFTCP-NTEUORMPSA-N	320.417	4.890	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(F)cc1Br	767714375	OZWLKBCCUHPGHA-KPKJPENVSA-N	324.193	4.500	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(C)c3ncccc3c2)s1	783708136	UVGPFCOOQVPBOB-YBEGLDIGSA-N	318.401	4.703	50	20	DJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2cc(F)c(F)c(F)c2)s1	797398241	FNHJYFGDSSJJTD-WMZJFQQLSA-N	322.355	4.922	50	20	DJGD	
N#C/C(=C\c1coc2ccccc12)C(=O)c1c[nH]c2ccccc12	160203578	QIWCPDJZBVSXHI-UKTHLTGXSA-N	312.328	4.704	50	20	DJGD	
N#C/C(=C\c1ccc(SC(F)F)cc1)C(=O)c1ccsc1	180436503	XVMKOONRJHKWPH-KPKJPENVSA-N	321.373	4.853	50	20	DJGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(\C#N)c2nc(-c3ccccc3)no2)o1	733781763	HHYGLWCHXYEBEY-VSXNHXORSA-N	317.348	4.517	50	20	DJGD	
CC(CCC1CCCCC1)=NNC(=O)c1ccc(O)c(Cl)c1	734096411	NQCGJOOMJJWLII-UHFFFAOYSA-N	322.836	4.512	50	20	DJGD	
CC(C)(C)c1ccc(C(=O)NNc2c(F)cccc2Cl)cc1	770203201	GRGHCWIPENQNFE-UHFFFAOYSA-N	320.795	4.534	50	20	DJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2ccc(F)c(F)c2)s1	797397967	CPNCONBKPBLSMA-WDZFZDKYSA-N	304.365	4.783	50	20	DJGD	
ClCCCOc1ccc(CNCc2cccc(Cl)c2)cc1	811473062	VXJOQHUXKUYNJP-UHFFFAOYSA-N	324.251	4.638	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(Cl)cs1	812768666	AVUBDOUZXJHOMO-UHFFFAOYSA-N	308.834	4.590	50	20	DJGD	
N#C/C(=C/c1ccc2ccccc2c1)C(=O)OC1CCCCC1	834747255	DPRGNNNKQMULAU-AQTBWJFISA-N	305.377	4.623	50	20	DJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2ccc(Cl)c(F)c2)c1	921269515	NVGBGWPGBGFXPL-OVCLIPMQSA-N	313.759	4.886	50	20	DJGD	
Cc1ccc(-c2csc(/C(C#N)=C/c3c(C)n[nH]c3C)n2)cc1	915988041	NUOIXJAYZCUTOV-OVCLIPMQSA-N	320.421	4.523	50	20	DJGD	
CCc1oc2ccccc2c1C(=O)NNc1c(C)cc(C)cc1C	1319600408	QWBIJDDFENAPCU-UHFFFAOYSA-N	322.408	4.677	50	20	DJGD	
N#C/C(=C/c1ccccc1C1CC1)c1nc(-c2ccccc2)no1	750818085	PDUSWTOJCGADQY-ATVHPVEESA-N	313.360	4.678	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(F)c(C(F)(F)F)c1	755601245	NCRVCJYTNXIILO-CEXMDJMXSA-N	313.294	4.757	50	20	DJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(CC)s2)c1C	731211228	SUXGSVGZEZUUSC-PTNGSMBKSA-N	324.449	4.705	50	20	DJGD	
Cc1cc(/C(C#N)=C/C=C/c2ccc(F)cc2)ccc1[N+](=O)[O-]	774558398	KBOWMAAGOIDBGT-PCSFBJKQSA-N	308.312	4.663	50	20	DJGD	
N#C/C(=C/c1cccc(F)c1)C(=O)c1cc2ccccc2s1	788326630	FZJRJKAPYCJBHW-ZSOIEALJSA-N	307.349	4.830	50	20	DJGD	
O=C(NN=Cc1c2ccccc2cc2ccccc12)C1CCCC1	914836643	UHJMJPVDPFFXOO-UHFFFAOYSA-N	316.404	4.633	50	20	DJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Cl)s2)c1C	14177773	DQSQYJWBRPPLOX-XYOKQWHBSA-N	316.813	4.564	50	20	DJGD	
COc1ccc2oc(/C=C(/C#N)C(=O)c3ccc(C)cc3)cc2c1	154288574	USAKFGITMZWOSZ-WJDWOHSUSA-N	317.344	4.540	50	20	DJGD	
Cc1csc(/C(C#N)=C/c2c(Cl)oc3ccccc23)n1	761175089	AFANQQLUCREKMT-UXBLZVDNSA-N	300.770	4.915	50	20	DJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccsc2C(F)F)cc1	935300990	FYLHNUJRHUHBJZ-UHFFFAOYSA-N	324.396	4.740	50	20	DJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(-c2c(F)cccc2F)o1	734368919	ZQGDCXGIWSGRKS-AWPPVZKDSA-N	315.319	4.747	50	20	DJGD	
C[C@H]1CCN(C(=O)CCCC[C@H]2CCSS2)CC1(C)C	759307524	KLPGIMZTWXGDKR-KBPBESRZSA-N	315.548	4.595	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cnc(C2CCCC2)s1	794875283	UCOQKTSYDUJXPI-UKTHLTGXSA-N	302.443	4.713	50	20	DJGD	
COc1ccc(F)cc1/C=C(/C#N)c1ncc(C(C)(C)C)s1	812241425	DNDQLLQAYIEFQD-GHXNOFRVSA-N	316.401	4.652	50	20	DJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccc(Cl)cc2)c(C)c1	6008520	KZTBEGMJQAHLFC-YBEGLDIGSA-N	324.811	4.811	50	20	DJGD	
N#C/C(=C\c1cc(F)cc(C(F)(F)F)c1)C(=O)C1CCCC1	781552947	GVYXSYKTTNZUQW-LFYBBSHMSA-N	311.278	4.511	50	20	DJGD	
CCCC[C@H](C)N(C)C(=O)CCCC[C@@H]1CCSS1	811958785	HNTOJRDUHQMNSD-UONOGXRCSA-N	303.537	4.738	50	20	DJGD	
N#C/C(=C/c1ccc(F)c(F)c1)C(=O)c1cc2ccccc2o1	48417594	VBTJCXQTSAWVFJ-QPEQYQDCSA-N	309.271	4.501	50	20	DJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccccc1Cl	207831168	GSRGNTUHDHUUBX-GDNBJRDFSA-N	310.784	4.503	50	20	DJGD	
CCCCCC[C@@H]1CCCC1=NNC(=O)c1ccc(Cl)nc1	728156057	ABNCSOMIZJDUBP-CYBMUJFWSA-N	321.852	4.591	50	20	DJGD	
CC(C)C(=O)/C(C#N)=C\c1cccc(OCc2ccc(F)cc2)c1	766672712	TURQKYLZTUALHK-YVLHZVERSA-N	323.367	4.537	50	20	DJGD	
CCOc1ccc(/C=C(/C#N)C(=O)c2cc(C)cc(C)c2)cc1F	780004128	FLUJJXFNJKJYNQ-YVLHZVERSA-N	323.367	4.631	50	20	DJGD	
CCCn1c(C)cc(/C=C(/C#N)c2nnc(C3CCCC3)o2)c1C	1322919699	LHWIVHSUKLOSDE-BOPFTXTBSA-N	324.428	4.620	50	20	DJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1cc2ccccc2s1	1323800928	KPFPRXVSLOZEQL-RVDMUPIBSA-N	303.386	5.000	50	20	DJGD	
CC(=O)c1ccc(NC(=O)CCCC[C@H]2CCSS2)cc1	28309350	ROJNPIIVGHNDOZ-HNNXBMFYSA-N	323.483	4.542	50	20	DJGD	
N#C/C(=C\c1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1	28355594	YHMWJIGMIPJMES-XYOKQWHBSA-N	317.175	4.539	50	20	DJGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccc(-c2ccccc2F)o1	213030948	VIDGPUBBQHXZJU-RAXLEYEMSA-N	321.307	4.777	50	20	DJGD	
O=C(NNc1ccc(F)cc1)Nc1ccc(-c2ccccc2)cc1	743805250	PTDNYWQEULEUKQ-UHFFFAOYSA-N	321.355	4.641	50	20	DJGD	
Cc1cc(/C(C#N)=C/c2cccc(CCl)c2)ccc1[N+](=O)[O-]	799891453	DIGYWSKYWOYIER-CXUHLZMHSA-N	312.756	4.706	50	20	DJGD	
N#C/C(=C/c1cccc(Cl)c1)c1cc(C(F)(F)F)ccn1	812248472	NWPLGMDMRVFNEL-WDZFZDKYSA-N	308.690	4.818	50	20	DJGD	
C[C@@H](CC(C)(C)C#N)OC(=O)CCCC[C@@H]1CCSS1	851211848	CYSZPEXEVZGEFH-QWHCGFSZSA-N	315.504	4.572	50	20	DJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1cnc(-c2ccco2)s1	1340616129	JWMOKMFAOZKYJO-LCYFTJDESA-N	320.373	4.501	50	20	DJGD	
CC(C)C(=O)/C(C#N)=C\c1ccc(-c2nc3ccccc3s2)o1	44027154	NRVYFVDOOLYLKZ-XFXZXTDPSA-N	322.389	4.688	50	20	DJGD	
Cc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c1C	731156076	ZQRBXZIEKVGRHV-GDNBJRDFSA-N	310.784	4.503	50	20	DJGD	
C=CCCC(C)=NNC(=O)c1ccc(-c2ccc(F)cc2)s1	758110645	VNFHXIOAZCGOGA-UHFFFAOYSA-N	316.401	4.626	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cccc(-c2cccnc2)c1	794874942	PYDVSKLWUGMKJA-LDADJPATSA-N	304.393	4.661	50	20	DJGD	
C/C(=C\c1cccc(Cl)c1)C(=O)NNc1ccccc1Cl	759657441	KALROAWNJIEPQJ-PKNBQFBNSA-N	321.207	4.540	50	20	DJGD	
Cc1ccsc1/C=C(/C#N)C(=O)c1cccc(C(F)(F)F)c1	780526454	FLNFANZZUQCNFF-WQLSENKSSA-N	321.323	4.865	50	20	DJGD	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1ccoc1	798229373	ABKRPDCBGWUMJD-NTEUORMPSA-N	323.735	4.983	50	20	DJGD	
C[C@@H]1CCCC[C@@H]1N(C)C(=O)CCCC[C@@H]1CCSS1	913509037	RIXJOVWNJZJCEO-KFWWJZLASA-N	315.548	4.738	50	20	DJGD	
CN(N=Cc1cc(-c2ccccc2)cs1)C(=O)OC(C)(C)C	920377623	DMADWKDGHOXJBZ-UHFFFAOYSA-N	316.426	4.616	50	20	DJGD	
COc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)C(C)(C)C	921261906	LMRNSULKNQESRF-BJMVGYQFSA-N	312.196	4.524	50	20	DJGD	
Clc1ccccc1CO[C@@H]1CCCC[C@H]1Br	50502804	OHFOYZITSJFRRK-DGCLKSJQSA-N	303.627	4.563	50	20	DJGD	
N#C/C(=C/c1cc(Cl)cs1)C(=O)c1cc2ccccc2o1	588600835	RHRRQCJCIMZIMW-WZUFQYTHSA-N	313.765	4.938	50	20	DJGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc(Cl)c(C(F)(F)F)c1	727266923	KBAOQLJCTJENIP-WDZFZDKYSA-N	315.722	4.881	50	20	DJGD	
CCCC(=NNC(=O)c1cc2c(s1)CCC2)C1CCCCC1	727776995	LJDGCMVGFGSBMJ-UHFFFAOYSA-N	318.486	4.703	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cc(C)c(OC(F)F)c(C)c1	741468420	FNQOEFHGAPYVMU-BTAWCLGRSA-N	321.367	4.817	50	20	DJGD	
C[C@H](NC[C@@H](C)CBr)c1csc2ccccc12	770668337	LLBDXWMYYBONEF-QWRGUYRKSA-N	312.276	4.583	50	20	DJGD	
CC(/C=C(/C#N)C(=O)c1cc(F)cc(F)c1)=C\c1ccccc1	773169396	BCYMQXKQROECPX-QFIPXXQRSA-N	309.315	4.701	50	20	DJGD	
Cc1cc(/C=C(/C#N)c2nc(-c3ccccc3)no2)ccc1Cl	779704183	OCXNVNMIIOBWFS-GDNBJRDFSA-N	321.767	4.763	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(OC)c2ccccc12	794955320	VSCYWZWXTNQAAR-NTCAYCPXSA-N	307.393	4.761	50	20	DJGD	
C(CC[C@@H]1CCSS1)Cc1nnc(CC2CCCC2)o1	1258634939	KPPMCWNSRZWQSA-CYBMUJFWSA-N	312.504	4.669	50	20	DJGD	
C[C@@H](c1ccc(Oc2ccccc2)cc1)N1CC=C(C#N)CC1	1645166631	YZOMSKXJUAODGO-INIZCTEOSA-N	304.393	4.696	50	20	DJGD	
CCc1cccc2c(/C=C(\C#N)C(=O)c3ccc(F)cc3)c[nH]c12	8202637	RNANTUCDDFXOGL-XNTDXEJSSA-N	318.351	4.659	50	20	DJGD	
COc1ccc(-c2csc(/C(C#N)=C\c3ccsc3)n2)cc1	63278896	DXMSMKMUKMUBMT-ZSOIEALJSA-N	324.430	4.944	50	20	DJGD	
CC(C)OCC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	276719899	BHYMNQVABRQGMC-UHFFFAOYSA-N	319.295	4.708	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(Cl)c(F)c2)s1	729820642	UNWGOWNJEQEDHR-WDZFZDKYSA-N	305.761	4.639	50	20	DJGD	
CCc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(C)ccc23)s1	731158633	FXISCIATGYXGOQ-UKTHLTGXSA-N	320.417	4.890	50	20	DJGD	
CC1(C)CCC(=NNC(=O)c2c(Cl)cccc2Cl)CC1	735971754	VIGPLRANZAEHOM-UHFFFAOYSA-N	313.228	4.679	50	20	DJGD	
Cc1nc(/C(C#N)=C/c2cccc(OC3CC3)c2F)sc1C	849245043	ODUQORKEKFBOAB-MDWZMJQESA-N	314.385	4.504	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cccc(-c2ccccn2)c1	747694175	UEUAWBYOSDLCQS-LUJRCDHRSA-N	304.393	4.661	50	20	DJGD	
C[C@H]1CCC[C@@H](C=NNC(=O)c2c(Cl)cccc2Cl)C1	768363834	DHXXBCJDLXAKRM-WDEREUQCSA-N	313.228	4.535	50	20	DJGD	
Cc1csc(/C(C#N)=C/c2ccc(N3CCCCC3)cc2)n1	8079654	ZBGYEUUBMDZESM-LFIBNONCSA-N	309.438	4.506	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C/c3ccc(OC(C)C)cc3)[nH]c12	735618756	FMDMFHROEUSSOY-LFIBNONCSA-N	317.392	4.723	50	20	DJGD	
COc1ccc2oc(/C=C(\C#N)c3nc(C)c(C)s3)cc2c1	763291214	XQLHJZARLJPZGO-MDWZMJQESA-N	310.378	4.579	50	20	DJGD	
CSc1cc(/C(C#N)=C/c2ccc(Cl)cc2Cl)ncn1	773177640	WNTYHMKZCDUWMC-ONNFQVAWSA-N	322.220	4.569	50	20	DJGD	
Cc1cc(C)cc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)c1	812246933	WYWONDWQZFJGJX-ZSOIEALJSA-N	302.299	4.781	50	20	DJGD	
CC(=O)OC[C@@H](C)Nc1cccc(S(F)(F)(F)(F)F)c1	893608555	HEXMQPGZXKRTDK-MRVPVSSYSA-N	319.295	4.708	50	20	DJGD	
Cc1cc(/C=C(\C#N)c2nc(C3CC3)cs2)c(C)n1C1CC1	731676067	JRTUVRFFKVHZFS-OVCLIPMQSA-N	309.438	4.838	50	20	DJGD	
CC(C)Cc1ccc([C@H](NC=C(C#N)C#N)c2cccs2)cc1	747841234	WXXWWXUVEMUXOH-IBGZPJMESA-N	321.449	4.557	50	20	DJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(F)cc2C)c1C	750893006	LKKMBXFVVSXZNW-BOPFTXTBSA-N	322.383	4.528	50	20	DJGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(F)c(Cl)c1Cl	761377819	UURIACKFSGAKDX-TWGQIWQCSA-N	300.160	4.655	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1csc(Cl)c1Cl	761480243	QOISSBKXPXQLGW-CBVZUMJXSA-N	302.226	4.967	50	20	DJGD	
Cc1oc2ccccc2c1/C=C(\C#N)C(=O)c1cccc(F)c1	772172485	QRQFNAQZVPRVEP-GXDHUFHOSA-N	305.308	4.670	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2sccc2Cl)cc1C	809146598	QRXGAANAPNQAIR-JYRVWZFOSA-N	301.798	4.808	50	20	DJGD	
CN(CC1CCCCC1)C(=O)CCCC[C@@H]1CCSS1	913484605	JDLQZPNNMZMQRO-OAHLLOKOSA-N	315.548	4.739	50	20	DJGD	
O=C(O)c1ccc2nc(/C=C\c3cccc(CCl)c3)ccc2c1	1777683521	PXMGZHCYQSOHGY-DAXSKMNVSA-N	323.779	4.842	50	20	DJGD	
CCOc1c(Cl)cccc1/C=C(\C#N)c1nc(C)c(C)s1	782340357	BDLUWCMQBNRSAL-MDWZMJQESA-N	318.829	4.876	50	20	DJGD	
N#C/C(=C\c1sccc1Cl)C(=O)Nc1ccccc1Cl	195223001	YKKYNQPUQCCGJX-VQHVLOKHSA-N	323.204	4.601	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc2cc(OC)ccc2c1	726119278	WOLRZJDZTGTMDQ-WOJGMQOQSA-N	307.393	4.761	50	20	DJGD	
Cc1c(C(=O)NNc2ccc(C(C)(C)C)cc2)oc2ccccc12	181124330	FWVLCBNTBRBFAT-UHFFFAOYSA-N	322.408	4.796	50	20	DJGD	
Cc1cccc(NNC(=O)c2c(-c3ccccc3)oc(C)c2C)c1	189101362	VYUDAGOJDAPVDM-UHFFFAOYSA-N	320.392	4.629	50	20	DJGD	
Cc1cc(C)c(NNC(=O)[C@H](C)c2ccc(Cl)s2)c(C)c1	750238254	GUIBYTHOQQCUKN-GFCCVEGCSA-N	322.861	4.574	50	20	DJGD	
CCCc1cccc(/C=C(/C#N)c2nc(-c3ccccc3)no2)c1	773909366	RKOXFQXNFRNSHJ-AQTBWJFISA-N	315.376	4.753	50	20	DJGD	
COc1cc(Cl)ccc1C(=O)NN=C(CC(C)C)CC(C)C	794779824	NZWKOWSZONOTFC-UHFFFAOYSA-N	324.852	4.527	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc3ccccc3o2)cc1C	809145770	FVKMUBOPTJJHSS-BOPFTXTBSA-N	301.345	4.840	50	20	DJGD	
N#C/C(=C\c1ccc(Cl)s1)C(=O)c1cccc(Cl)c1	14180681	AHLBXJVMZOIYOC-JXMROGBWSA-N	308.189	4.845	50	20	DJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)N1CCCC1	184407372	SLYYBSIQEUGLRL-UHFFFAOYSA-N	316.295	4.972	50	20	DJGD	
Cc1cccc(COc2c(C)cc(C=C(C#N)C#N)cc2C)c1	734366130	FYBDDMDJBRUPMC-UHFFFAOYSA-N	302.377	4.621	50	20	DJGD	
Cc1cc(C)c(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)cc1C	735619779	QYHHATWMJGANHG-YVLHZVERSA-N	301.393	4.861	50	20	DJGD	
Cc1cccc(NC(=O)/C(C#N)=C/C=C/c2ccc(F)cc2)c1C	747695984	OIUQNFVJBSXTAS-BHAVQNJHSA-N	320.367	4.544	50	20	DJGD	
Cc1cc(C)cc(/C=C(\C#N)C(=O)c2ccc(Cl)cc2F)c1	773150337	NHXRCVDXBIKJTD-RIYZIHGNSA-N	313.759	4.886	50	20	DJGD	
Cc1cc(C)c(NNC(=O)c2ccc(C)c(C)c2Cl)c(C)c1	783590380	VGDUWSLCICUHNU-UHFFFAOYSA-N	316.832	4.639	50	20	DJGD	
CCN(C(=O)CCCC[C@@H]1CCSS1)c1ccccc1	914758533	WOCCDIFLXVCVKB-OAHLLOKOSA-N	309.500	4.754	50	20	DJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(C)s2)cc1Cl	125370453	KUNSLWHWSKEBIW-GHXNOFRVSA-N	317.797	4.508	50	20	DJGD	
CCOc1cccc(/C=C(/C#N)c2nc3cc(F)ccc3s2)c1	730150082	GYRQEAKAVHAZCE-JYRVWZFOSA-N	324.380	4.898	50	20	DJGD	
CC[C@@H](CC(=O)NNc1c(C)cc(C)cc1C)c1ccccc1	743764899	XADNFVOUPVUQSH-KRWDZBQOSA-N	310.441	4.639	50	20	DJGD	
N#C/C(=C\c1cccc(-c2ccccn2)c1)C(=O)c1ccsc1	747690220	FJXOVGYMPWGVCN-GZTJUZNOSA-N	316.385	4.600	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cccc(Cl)c1F	759642157	HKUGEAZLKLRSRI-XFFZJAGNSA-N	305.761	4.639	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cccc(Cl)c2F)s1	759645204	VZIVHGNZHZOTTB-XFFZJAGNSA-N	305.761	4.639	50	20	DJGD	
N#C/C(=C\c1cccc(-c2cccnc2)c1)C(=O)c1ccccc1	768466632	INIQKMARCKCVLO-DEDYPNTBSA-N	310.356	4.538	50	20	DJGD	
Cc1cc(/C(C#N)=C\c2cccc(Cl)c2F)ccc1[N+](=O)[O-]	774557405	FJECOCVGQJJCNT-JYRVWZFOSA-N	316.719	4.760	50	20	DJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1ccc(C(F)(F)F)s1	1116768014	AVIOFNRPGAETDY-DHZHZOJOSA-N	321.323	4.865	50	20	DJGD	
COc1ccccc1-c1ccc(/C=C(/C#N)C(=O)C(C)(C)C)cc1	125225929	WJMIODXWWBSVAS-LGMDPLHJSA-N	319.404	4.884	50	20	DJGD	
C=CCCC[C@@H](C)NC(=O)CCCC[C@H]1CCSS1	182595856	SKAPOVPIMAHTKU-KGLIPLIRSA-N	301.521	4.562	50	20	DJGD	
COc1ccc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)cc1Cl	741467579	OUEWWWLOJAECNK-MDWZMJQESA-N	323.783	4.598	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(F)c(Br)c1	741470756	UVHOGIYZPAYIQR-QVIVLVACSA-N	324.193	4.500	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(F)cc1Br	767729246	ODCAHIFUFBLLBA-BZPKPHBRSA-N	324.193	4.500	50	20	DJGD	
Cc1cc(/C(C#N)=C/c2ccc3cnccc3c2)ccc1[N+](=O)[O-]	782351390	JVHMNDKARUELHC-VCHYOVAHSA-N	315.332	4.516	50	20	DJGD	
N#C/C(=C\c1cccc2ccccc12)c1cnc2ccccc2n1	191361706	BKOQAGDMEGTSSS-SFQUDFHCSA-N	307.356	4.847	50	20	DJGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccc(F)c(Cl)c1Cl	761390804	FTZZTKSHMFWROP-UXBLZVDNSA-N	324.138	4.824	50	20	DJGD	
COc1ccc2cc(/C=C(\C#N)C(=O)c3ccoc3C)ccc2c1	7714444	IZSHIHKKJSFLOC-LICLKQGHSA-N	317.344	4.540	50	20	DJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2cccc(F)c2F)cc1	209916997	WEJQRZCTDRGDKO-LFIBNONCSA-N	311.331	4.707	50	20	DJGD	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)c2ccccc2C)cc1	212127958	MDBAYMKBMWYUHD-JXAWBTAJSA-N	318.420	4.631	50	20	DJGD	
N#C/C(=C/c1cscc1Cl)C(=O)c1ccc(Cl)s1	783688412	WLRCWJVGWYDYIR-CLTKARDFSA-N	314.218	4.906	50	20	DJGD	
CSc1cc(/C(C#N)=C/c2ccc(C3CCC3)cc2)ncn1	834438348	OXXLDWFXSAHBKJ-CXUHLZMHSA-N	307.422	4.530	50	20	DJGD	
Cc1cc(C)c(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)c(C)c1	916139903	APRGPWGPRNVBQG-MHWRWJLKSA-N	314.388	4.883	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H]1CC=CCC1	175637448	BVDWTDAXFYXFQJ-OAHLLOKOSA-N	314.454	4.679	50	20	DJGD	
Cc1csc(/C(C#N)=C\c2ccc(CSC(F)F)o2)n1	212769680	ALJKUFSSLBAHAU-WTKPLQERSA-N	312.366	4.565	50	20	DJGD	
Cc1ccc(-c2csc(/C(C#N)=C/c3ccc(C)nc3)n2)cc1	764886787	OGWAEZXGAWVTRL-RQZCQDPDSA-N	317.417	4.886	50	20	DJGD	
N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)C1CCCC1	781554368	NLYDDTSPBPOFJD-RVDMUPIBSA-N	309.340	4.752	50	20	DJGD	
O=C(NN=C1CC(c2ccccc2)C1)c1ccc2ccccc2c1	814810190	BPTAKIVBVFSSFB-UHFFFAOYSA-N	314.388	4.503	50	20	DJGD	
C[C@@H](N(C)C(=O)CCCC[C@@H]1CCSS1)C(C)(C)C	914431484	BKSFYHPUIRBCOE-CHWSQXEVSA-N	303.537	4.594	50	20	DJGD	
CN(N=CC1CCC(c2ccccc2)CC1)C(=O)OC(C)(C)C	1322587890	LDPUTXWOCZLOMY-UHFFFAOYSA-N	316.445	4.813	50	20	DJGD	
N#C/C(=C/c1csc(-c2ccsc2)n1)C(=O)c1ccccc1	72030980	MFRLYEZRIPYIFI-ZSOIEALJSA-N	322.414	4.661	50	20	DJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(SC(F)(F)F)cc1	726428460	MKAJDIVOYIOBGB-MJWAUXSNSA-N	313.344	4.821	50	20	DJGD	
Cc1cc(/C=C(/C#N)C(=O)CC(C)(C)C)c(OC(F)F)cc1C	742349959	XJDIUWXHLXMWCB-ZSOIEALJSA-N	321.367	4.817	50	20	DJGD	
N#C/C(=C/c1scnc1C1CC1)c1ccc2ccccc2n1	782326264	BRLWRMSIILLBBG-ZROIWOOFSA-N	303.390	4.633	50	20	DJGD	
COc1cc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)ccc1C	797399221	QGRMHSXIFGJJKA-RIYZIHGNSA-N	312.438	4.822	50	20	DJGD	
N#C/C(=C/c1cscc1C(F)(F)F)C(=O)c1ccccc1	811626002	ABXIZWKFBYQABY-WDZFZDKYSA-N	307.296	4.557	50	20	DJGD	
Cc1ccccc1NNC(=O)c1cccc(Oc2ccccc2)c1	865532278	XHKKXWYGTYFQHY-UHFFFAOYSA-N	318.376	4.544	50	20	DJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2cc(Cl)cc(Cl)c2)o1	921189418	IEGAUWKACFDTSN-IZZDOVSWSA-N	306.148	4.685	50	20	DJGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1c(C)oc2ccccc12	179367721	HDMMXBFLXOBAPC-RVDMUPIBSA-N	316.360	4.595	50	20	DJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1cccc(F)c1F	730733313	WWLHLFDVMWGPOR-LCYFTJDESA-N	322.314	4.544	50	20	DJGD	
Cc1cc(Cl)ccc1/C=C(/C#N)C(=O)c1sccc1C	767351837	LPMDHDPSKMCCOI-JYRVWZFOSA-N	301.798	4.808	50	20	DJGD	
Cc1cc(F)ccc1/C=C(/C#N)C(=O)c1ccc(Cl)cc1F	773148269	DGRIXABJFVNZKP-GHXNOFRVSA-N	317.722	4.717	50	20	DJGD	
C[C@H]1CCCC[C@H]1C=NNC(=O)c1c(Cl)cccc1Cl	783839328	HGDOTRNSAOCIKL-QWRGUYRKSA-N	313.228	4.535	50	20	DJGD	
Cc1ccc(NNC(=O)c2ccc(C3CCC3)cc2)cc1Cl	1116754141	XQFSGOZGTKNKAY-UHFFFAOYSA-N	314.816	4.673	50	20	DJGD	
Cc1ccc2cc(/C=C(/C#N)C(=O)C3CCCC3)c(Cl)nc2c1	1254417213	HJQNXZVNWHRCMO-YBEGLDIGSA-N	324.811	4.863	50	20	DJGD	
Cc1cc([C@H](C)NCc2ccc(OCCCCl)cc2)c(C)o1	1332940108	JGWGSGVJMQXHFS-AWEZNQCLSA-N	321.848	4.755	50	20	DJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(Cl)c2)c1C	59133145	BUMMGLLHPMZPRG-DHDCSXOGSA-N	310.784	4.503	50	20	DJGD	
N#C/C(=C/c1cccc(-c2ccccn2)c1)c1nc2ccccc2[nH]1	158295053	CNBARQUYDOUIGN-LGMDPLHJSA-N	322.371	4.689	50	20	DJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1cc(Cl)cs1	195222663	NGXFGUKXOVPANB-SDQBBNPISA-N	316.813	4.564	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc(C)n(Cc2ccco2)c1C	726183434	KZMXERYDPQCLFS-WOJGMQOQSA-N	324.424	4.659	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cscc1C(F)(F)F	811691089	JHITYSDWOCDWCS-RAJVOEEQSA-N	301.333	4.679	50	20	DJGD	
CC(C)C[C@H]1CCCN1C(=O)CCCC[C@H]1CCSS1	128617834	JNMQPQLBCBMWBE-CABCVRRESA-N	315.548	4.738	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc(Br)ccc1F	726118040	HWDKGJONIHLTOG-GHXNOFRVSA-N	324.193	4.500	50	20	DJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cnc(-c2ccc(C)cc2)s1	734304718	UEOITXARAPOSCU-GRRFOWRYSA-N	310.422	4.641	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc(C)ccc1OC(F)F	756783030	GOUSGQLYDXOGHU-ZROIWOOFSA-N	307.340	4.509	50	20	DJGD	
Cc1cc(/C(C#N)=C/c2cc3ccccc3o2)ccc1[N+](=O)[O-]	774557880	GCCXMNYXWRENGW-XNTDXEJSSA-N	304.305	4.714	50	20	DJGD	
CCc1ccc(/C=C(\C#N)C(=O)c2ccc3ncccc3c2)s1	794884945	SEVZBQGCMQYMEW-RVDMUPIBSA-N	318.401	4.649	50	20	DJGD	
Cc1cc(C)c(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1C	72117964	RACVQCLBUCXBPY-YBEGLDIGSA-N	324.811	4.811	50	20	DJGD	
Cc1cscc1NC(=O)CCCC[C@H]1CCSS1	154422656	KTFKKSJVEYGYJN-NSHDSACASA-N	301.502	4.709	50	20	DJGD	
CCCCCCC=NNC(=O)c1c(Cl)cccc1Cl	755699434	ZBTRSNCNUFTWIK-UHFFFAOYSA-N	301.217	4.679	50	20	DJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccc3ncccc3c2)cc1C	794964692	HJQXOVSRHPUZSM-YBFXNURJSA-N	312.372	4.642	50	20	DJGD	
N#C/C(=C\c1ccccc1Cl)c1cc(C(F)(F)F)ccn1	812248397	LNHCWQHRVDHACD-YRNVUSSQSA-N	308.690	4.818	50	20	DJGD	
C=C(B1OC(C)(C)C(C)(C)O1)[C@H](C)O[Si](C)(C)C(C)(C)C	2090611653	KOWXKAKWXZNOPI-ZDUSSCGKSA-N	312.335	4.584	50	20	DJGD	
Cc1ccccc1CN(C)C(=O)CCCC[C@H]1CCSS1	61492805	RMSZIOKQVADPRJ-INIZCTEOSA-N	323.527	4.668	50	20	DJGD	
Cc1ccc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)cn1	764888771	UIRXIGWKEQKESR-CXUHLZMHSA-N	303.390	4.578	50	20	DJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)o1	773144122	IAYAZIRSVQQYTR-WDZFZDKYSA-N	323.245	4.536	50	20	DJGD	
COc1ccc2cc(/C=C(\C#N)c3nc(C)cs3)ccc2c1	8079641	NJXYFEOSDHMKOI-LZYBPNLTSA-N	306.390	4.678	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2coc(-c3ccccc3)n2)s1	749893057	XCIBUWMFLOLGNP-ZROIWOOFSA-N	320.373	4.501	50	20	DJGD	
Cc1cc(/C(C#N)=C\c2ccc(F)cc2Cl)ccc1[N+](=O)[O-]	774559384	PFPFQWYRJSXNSV-QPEQYQDCSA-N	316.719	4.760	50	20	DJGD	
CCOc1ccc(/C=C(\C#N)c2ccc3ccccc3n2)cc1F	782328716	KEYZKTMCDLOHMX-LFIBNONCSA-N	318.351	4.837	50	20	DJGD	
N#C/C(=C\c1ccc(C2CCCC2)cc1)c1ccc([N+](=O)[O-])cn1	812245557	UNFJYILJVGYUHN-GZTJUZNOSA-N	319.364	4.712	50	20	DJGD	
CC(C)OC(=O)/C(C#N)=C/c1c(Cl)ccc(Cl)c1Cl	817924436	RAILMQMXCQZIIE-VMPITWQZSA-N	318.587	4.505	50	20	DJGD	
C=CCOc1ccc(/C=C(\C#N)C(=O)[C@@H](C)CCC)cc1Cl	741470021	OVSILKDUUBEIAX-LERPTODRSA-N	317.816	4.817	50	20	DJGD	
N#C/C(=C\c1csc(Cl)c1Cl)C(=O)c1ccccc1	761377166	QLDIQOGFTQCIEN-UXBLZVDNSA-N	308.189	4.845	50	20	DJGD	
N#C/C(=C/c1cccc(Cl)c1Cl)C(=O)c1cccc(F)c1	772172206	PNCUUAPWYOEHNE-GHXNOFRVSA-N	320.150	4.922	50	20	DJGD	
N#Cc1ccc(C(=O)/C=C\c2cccc(CCl)c2)c(Cl)c1	799893971	YGGCUVOFGVUHMG-ALCCZGGFSA-N	316.187	4.847	50	20	DJGD	
Cc1ccc(C)c(NNC(=O)c2ccc(C3CCCC3)cc2)c1	810682682	JJDHWIKCLUIVIV-UHFFFAOYSA-N	308.425	4.718	50	20	DJGD	
N#C/C(=C\c1ccccc1C(F)(F)F)C(=O)c1ccccc1F	8201736	OAOKBIMPVDYTEL-FMIVXFBMSA-N	319.257	4.634	50	20	DJGD	
C[C@H](C#N)OCCNc1cccc(S(F)(F)(F)(F)F)c1	690188313	RPSGIWSWWYFJOZ-SECBINFHSA-N	316.295	4.685	50	20	DJGD	
C[C@H](C=NNC(=O)c1c(Cl)cccc1Cl)c1ccccc1	727781850	YOTWERQJEMPDLC-LLVKDONJSA-N	321.207	4.513	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C/c2nc3c(s2)CCCC3)n1	776263221	BYWHKXUPOZHYBW-YRNVUSSQSA-N	315.467	4.666	50	20	DJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)[C@H]1C[C@H]1F	1527986290	OJEPMNNTGIREEM-DTWKUNHWSA-N	305.243	4.641	50	20	DJGD	
Cc1ccc(N(C)C(=O)CCCC[C@@H]2CCSS2)cc1	725742166	KWRHDGYANPDMGN-OAHLLOKOSA-N	309.500	4.672	50	20	DJGD	
Cc1cc(/C=C(\C#N)C(=O)CC(C)(C)C)c(OC(F)F)cc1C	742349958	XJDIUWXHLXMWCB-RIYZIHGNSA-N	321.367	4.817	50	20	DJGD	
N#C/C(=C\c1ccc(Br)s1)C(=O)C1CCCCC1	767713601	LJNSJZXMPASBGO-DHZHZOJOSA-N	324.243	4.567	50	20	DJGD	
Cc1ccc2c(C(=O)NNc3ccccc3Cl)csc2c1	795191506	GENPKZUDYOITHM-UHFFFAOYSA-N	316.813	4.620	50	20	DJGD	
COCC[C@H](C)NCc1cccc(S(F)(F)(F)(F)F)c1	840894718	XMXFNRCPLSJODV-JTQLQIEISA-N	319.339	4.859	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cccc(CCl)c2)c1C	799893614	TYFLOKJTQMTOEC-YVLHZVERSA-N	309.796	4.832	50	20	DJGD	
Cc1cc(/C=C(/C#N)c2ccccn2)c(C)n1-c1ccccc1F	864235954	SNMZQSOHRIOXRI-ATVHPVEESA-N	317.367	4.692	50	20	DJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2cc(C)c(O)c(C)c2)cc1	7208185	RRBJNEKXYUUUTE-XDHOZWIPSA-N	319.404	4.751	50	20	DJGD	
CCN(CC)c1ccc(/C=C(/C#N)c2nc(C)c(C)s2)cc1	125450187	DZHYEQNZRNNSDX-WJDWOHSUSA-N	311.454	4.670	50	20	DJGD	
COc1ccc2oc(/C=C(/C#N)c3nc(C)c(C)s3)cc2c1	160523741	XQLHJZARLJPZGO-JYRVWZFOSA-N	310.378	4.579	50	20	DJGD	
Cc1cccc(C)c1NC(=O)CCCC[C@H]1CCSS1	267359620	WFWOJJPECJJKDP-AWEZNQCLSA-N	309.500	4.956	50	20	DJGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1csc(Cl)c1Cl	761384799	IXKFZBVGHPXYFW-YWEYNIOJSA-N	302.226	4.967	50	20	DJGD	
N#C/C(=C/c1cscc1Cl)C(=O)c1ccc2ncccc2c1	794885872	WPLCKMLZQVZBML-QPEQYQDCSA-N	324.792	4.740	50	20	DJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(CCl)c2)c1C	799889984	XQPMJJPVNHODEP-YVLHZVERSA-N	324.811	4.588	50	20	DJGD	
N#C/C(=C\c1ccc(Cl)cc1)C(=O)c1c[nH]c2cc(F)ccc12	915991146	WIPGBWFYOTUEJJ-KPKJPENVSA-N	324.742	4.750	50	20	DJGD	
N#C/C(=C\c1ccsc1)C(=O)Nc1cc(Cl)cc(Cl)c1	7165237	UKTKCGAEHKRCOX-XCVCLJGOSA-N	323.204	4.601	50	20	DJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1cccc(C(F)(F)F)c1	7211055	CIZUKXWHKGOGIG-NTEUORMPSA-N	315.294	4.804	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C\c2ccc(-n3cccn3)cc2)n1	83024459	SHCNALYNOBBFDD-GDNBJRDFSA-N	320.421	4.516	50	20	DJGD	
Cc1ncsc1/C=C(\C#N)C(=O)c1ccc(C(C)(C)C)cc1	172816374	AZTVKHOSICEPCK-NTEUORMPSA-N	310.422	4.539	50	20	DJGD	
O=C(CCCC[C@@H]1CCSS1)OCc1cccc(F)c1	786589772	GUHVKBTWDYEEQT-CQSZACIVSA-N	314.447	4.583	50	20	DJGD	
Cc1nn(C(C)C)cc1/C=C(\C#N)c1ncc(C(C)(C)C)s1	798345148	RQINSUAFNJCNDO-NTUHNPAUSA-N	314.458	4.591	50	20	DJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2ccc(Cl)s2)c1	918712959	FEGVDQXKEFQTCB-JYRVWZFOSA-N	301.798	4.808	50	20	DJGD	
N#C/C(=C/c1ncc(-c2ccccc2)[nH]1)c1ccc2ccccc2n1	1326526116	ANEXHYXZKBXNBQ-ATVHPVEESA-N	322.371	4.689	50	20	DJGD	
CCOC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2)s1	211192700	YJSLBKTWBZXQKK-XFXZXTDPSA-N	317.797	4.539	50	20	DJGD	
CCCOc1cccc(/C=C(\C#N)C(=O)c2cccc(C)c2C)c1	727653953	CTFHZOZVEANNSH-LDADJPATSA-N	319.404	4.882	50	20	DJGD	
Cc1cc(C)c(NNC(=O)c2cc(C)c(C)cc2Cl)c(C)c1	781349229	YXQZDUOSHHRFBH-UHFFFAOYSA-N	316.832	4.639	50	20	DJGD	
COc1cc(/C=C(\C#N)c2nc(C(C)C)cs2)ccc1Cl	863186046	LVRQEMAVANHEJA-WUXMJOGZSA-N	318.829	4.993	50	20	DJGD	
CCCCCO[C@@H](CBr)c1cccc(Cl)c1	71125470	FDMOZGSNWRVDJK-ZDUSSCGKSA-N	305.643	4.983	50	20	DJGD	
N#C/C(=C\c1cc(Cl)cs1)C(=O)c1c[nH]c2ccccc12	195224476	PZIBFVLCFLUANO-BJMVGYQFSA-N	312.781	4.673	50	20	DJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)c1cc2ccccc2s1	788332606	SIHJAECYLZYVCI-NTEUORMPSA-N	307.349	4.830	50	20	DJGD	
Cc1ccc(-c2noc(/C(C#N)=C/C=C\c3ccccc3)n2)cc1	212177245	DZANZYAULZRMMJ-YSWHLYNJSA-N	313.360	4.665	50	20	DJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cc(F)c(F)c(F)c2)c1	727975567	UOAMSLHGZQNVIQ-NSIKDUERSA-N	315.294	4.511	50	20	DJGD	
CCC[C@H]1CCCN(C(=O)CCCC[C@@H]2CCSS2)C1	758176961	UGERSQZKMYENGF-LSDHHAIUSA-N	315.548	4.739	50	20	DJGD	
N#C/C(=C/c1c(Cl)oc2ccccc12)C(=O)c1ccccc1	761180824	KMJHJNHAUBMAHY-RAXLEYEMSA-N	307.736	4.876	50	20	DJGD	
Cc1cc(C)cc(/C=C(/C#N)C(=O)c2cc3ccccc3o2)c1	921262717	XUTUWHUDCONAKA-YVLHZVERSA-N	301.345	4.840	50	20	DJGD	
N#C/C(=C\c1cccc2ccccc12)C(=O)Nc1ccc(F)cc1	5777347	MAQGTNXAUBMGNZ-FOWTUZBSSA-N	316.335	4.525	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C/c2ccn(-c3ccccc3)n2)n1	90988538	DMUONMIQSUXKEH-GXDHUFHOSA-N	320.421	4.516	50	20	DJGD	
N#C/C(=C\c1ccc(C(F)(F)F)s1)C(=O)c1ccsc1	761387906	ZKUBGSXTFNSMIG-WEVVVXLNSA-N	313.325	4.618	50	20	DJGD	
Cc1ccoc1/C=C(/C#N)C(=O)c1ccc(F)c(C(F)(F)F)c1	773146100	WBEMWASTBXPRNN-XFFZJAGNSA-N	323.245	4.536	50	20	DJGD	
Cc1cc(/C(C#N)=C/c2ccc(C(F)F)cc2)ccc1[N+](=O)[O-]	794947300	WCUBNQLMHPRKCG-OQLLNIDSSA-N	314.291	4.905	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cnc(-c2cccs2)s1	794955365	XEVKXOBNCGBRKX-FLIBITNWSA-N	316.451	4.784	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/C(C)=C\c1ccccc1COC	814189695	IQPKADODNSLDBC-FMNVGAIOSA-N	311.425	4.692	50	20	DJGD	
O=C(CCl)c1c(-c2ccccc2Cl)[nH]c2ccccc12	20284113	OTMCNKZPFDYQRC-UHFFFAOYSA-N	304.176	4.910	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cnc(C3CCCC3)s2)cc1	154291810	QOHBNTGRNZZOEJ-MHWRWJLKSA-N	322.433	4.899	50	20	DJGD	
Cc1ccc(/C=C(\C#N)c2nc(-c3ccc(C#N)cc3)cs2)o1	194336451	WLBSJHQJODBJOU-OVCLIPMQSA-N	317.373	4.647	50	20	DJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2cccc(Cl)c2)c(C)c1	213102333	LMONERDWZXNBOM-SXGWCWSVSA-N	324.811	4.811	50	20	DJGD	
O=C(NN=C1CCC[C@H](C2CC2)C1)c1ccc2ccccc2c1	737430576	UWMHANOHCYNDBD-KRWDZBQOSA-N	306.409	4.526	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(-c2ccccc2F)o1	741470905	XAGVGOYJKQSCLX-KECPUOCWSA-N	311.356	4.998	50	20	DJGD	
N#C/C(=C\c1ccc2ncccc2c1)C(=O)c1ccc(Cl)s1	783714044	FDZKTRRTHCPMED-UKTHLTGXSA-N	324.792	4.740	50	20	DJGD	
C=C(CBr)CN[C@H](C)c1csc2ccccc12	791490616	LVVFMHIKJAGSMW-LLVKDONJSA-N	310.260	4.503	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cc(C(F)(F)F)ccc1F	794874315	KPJKCEBQQARIRK-XFFZJAGNSA-N	313.294	4.757	50	20	DJGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)o1	16968026	SXGKTVHWYLVBOP-JMNAUKJMSA-N	316.360	4.674	50	20	DJGD	
CC(C)=CCSc1ccccc1C(=O)NNc1ccccc1	155630149	QXZKTTVDKBUWMP-UHFFFAOYSA-N	312.438	4.502	50	20	DJGD	
Cc1cc(F)ccc1NNC(=O)[C@@H](C)c1ccc2ccccc2c1	748570511	LSROSRXGWGFPQF-AWEZNQCLSA-N	322.383	4.534	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc3ncccc3c2)cc1C	809160492	QRWHMAPJXBHYOF-XDHOZWIPSA-N	312.372	4.642	50	20	DJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2cccc(F)c2C#N)s1	811691510	PPCCMYQRARTTGZ-KPKJPENVSA-N	311.385	4.516	50	20	DJGD	
Cc1ccc(C)c(NNC(=O)c2ccc(-c3ccccc3)cc2)c1	857831176	XQDWQYNZMFJKSY-UHFFFAOYSA-N	316.404	4.727	50	20	DJGD	
CC(C)C(=O)/C(C#N)=C/c1c(Cl)ccc(Cl)c1Cl	915989633	AMKGHXLVNQFBBG-VMPITWQZSA-N	302.588	4.779	50	20	DJGD	
CCCCCNC(=O)/C(C#N)=C\c1cc(-c2ccccc2)cs1	917518571	DOSAIQOTHBSFLQ-WJDWOHSUSA-N	324.449	4.628	50	20	DJGD	
BrCc1nc2ccc(-c3ccccc3)cc2s1	98178157	FTCOBSPKLDFRMH-UHFFFAOYSA-N	304.212	4.858	50	20	DJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)c1ccc[nH]1	183985336	YRVPQLCVENNUSY-UHFFFAOYSA-N	312.263	4.924	50	20	DJGD	
Cc1ccc(-c2csc(/C(C#N)=C/c3ccc(F)nc3)n2)cc1	777466784	FZCCNXWWMYZDFT-OVCLIPMQSA-N	321.380	4.717	50	20	DJGD	
N#C/C(=C/c1ccccc1Cl)C(=O)c1ccc(Cl)s1	783687759	MRPGHILQXAYGSX-YFHOEESVSA-N	308.189	4.845	50	20	DJGD	
Cc1cccc(N(C)C(=O)CCCC[C@@H]2CCSS2)c1	727106524	FGGLOEDVVHQMGJ-OAHLLOKOSA-N	309.500	4.672	50	20	DJGD	
CC(=C\c1ccccc1)/C=C(\C#N)c1nc(-c2ccccc2)no1	733782296	OYCYARMKGVUNIC-PYEASBQRSA-N	313.360	4.747	50	20	DJGD	
COc1ccc(/C=C(\C#N)C(=O)C2CCCC2)c2ccccc12	781554381	NSGSMVOLXUMPCG-FOWTUZBSSA-N	305.377	4.515	50	20	DJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2ccc([C@@H]3C[C@H]3C)o2)c1	918735250	GJVMZUPOZYKUTJ-BYNYNQLESA-N	305.377	4.810	50	20	DJGD	
CN(N=Cc1ccccc1-c1ccccc1)C(=O)OC(C)(C)C	920377530	AVMOTJRLPDOMRE-UHFFFAOYSA-N	310.397	4.554	50	20	DJGD	
N#C/C(=C/c1cccc(C#N)c1)c1nc(-c2ccccc2)cs1	96939758	PZDKWANKQJWGFM-YVLHZVERSA-N	313.385	4.746	50	20	DJGD	
O=C(NCCCF)Nc1ccc(S(F)(F)(F)(F)F)cc1	192260883	OOGFAEDSTCNWDV-UHFFFAOYSA-N	322.274	4.825	50	20	DJGD	
N#C/C(=C/c1ccc(Cl)cc1Cl)C(=O)c1ccc(F)cc1	212692423	NOUDREFXKHLCKQ-GHXNOFRVSA-N	320.150	4.922	50	20	DJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1cccc(Cl)c1)c1ccccc1	787139772	BLUWGVOXCGNLED-MUMAZLPKSA-N	324.811	4.514	50	20	DJGD	
CCCN(N=C1CCC[C@@H]1CCCF)C(=O)OC(C)(C)C	794993045	OCDNLEKLXTVCQD-CYBMUJFWSA-N	300.418	4.539	50	20	DJGD	
C=CCOc1cccc(/C=C(\C#N)c2nc(C(C)C)cs2)c1	176940157	TWKNZQCCFLMJRL-OQLLNIDSSA-N	310.422	4.895	50	20	DJGD	
CCCCCCOc1ccc(C(=O)NN=C2CCC[C@@H]2C)cc1	729144186	QTZLKBDXHJLJHV-HNNXBMFYSA-N	316.445	4.552	50	20	DJGD	
CSc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1	3616318	ZFVMLFIRGQULIV-LFIBNONCSA-N	322.433	4.571	50	20	DJGD	
Cc1cccc(NC(=O)CCCC[C@H]2CCSS2)c1C	61468922	NBJKTHFPNSBTOX-AWEZNQCLSA-N	309.500	4.956	50	20	DJGD	
Cc1ccc([C@@H](C)NC(=O)CCCC[C@@H]2CCSS2)cc1	105850759	AJGZCRKRAHGRSB-GDBMZVCRSA-N	323.527	4.886	50	20	DJGD	
N#C/C(=C\c1ccnc2ccccc12)C(=O)c1c[nH]c2ccccc12	731835660	LYDJFOIVIIGWGO-RVDMUPIBSA-N	323.355	4.506	50	20	DJGD	
Cc1ccc(F)c(/C=C(\C#N)C(=O)c2c[nH]c3cc(C)ccc23)c1	734981254	PRGKWYFDEYRQLY-OQLLNIDSSA-N	318.351	4.714	50	20	DJGD	
CC(C)C(=O)/C(C#N)=C\c1cnc(-c2ccc(Cl)cc2)s1	789128632	RIXWQXRBXNHADR-GHXNOFRVSA-N	316.813	4.596	50	20	DJGD	
Cc1ccc(C)c(NNC(=O)c2csc3cc(C)ccc23)c1	795195031	XUIIEQKOIZMZAC-UHFFFAOYSA-N	310.422	4.583	50	20	DJGD	
Cc1ccc(-c2ncc(/C=C(\C#N)C(=O)C(C)C)s2)cc1C	848638367	GUJDDMVJFHWERI-OVCLIPMQSA-N	310.422	4.559	50	20	DJGD	
CC[C@@H]1CCC[C@H](NC(=O)CCCC[C@H]2CCSS2)C1	740845764	NETPUBAOGBEHTP-ILXRZTDVSA-N	315.548	4.786	50	20	DJGD	
Cc1cc(/C(C#N)=C/c2ccc(Cl)cc2F)ccc1[N+](=O)[O-]	782206914	LUBDIAPWAGFKEF-NTUHNPAUSA-N	316.719	4.760	50	20	DJGD	
Cc1csc(/C(C#N)=C\c2ccc3c(c2)CCC(C)(C)O3)n1	797405513	YVDINDKJRMQTHZ-DHDCSXOGSA-N	310.422	4.619	50	20	DJGD	
C[C@H](NCc1cccc(S(F)(F)(F)(F)F)c1)C(C)(C)O	898119122	GYMNBTPSNZBFQB-VIFPVBQESA-N	319.339	4.593	50	20	DJGD	
CC[C@@H](C)CN(CC)C(=O)CCCC[C@H]1CCSS1	748437092	XMKNDORNUJXFMH-KGLIPLIRSA-N	303.537	4.595	50	20	DJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1cc(F)cc(F)c1	755403940	JXKZCWUAWDMAPB-AWNIVKPZSA-N	322.314	4.544	50	20	DJGD	
CCc1cccc(C)c1NNC(=O)Nc1cccc(C(F)F)c1	799396277	VNICYSACHIPAKT-UHFFFAOYSA-N	319.355	4.644	50	20	DJGD	
CC(/C=C(\C#N)c1ccncn1)=C\c1ccccc1C(F)(F)F	799891850	IMINHENWNCDYQM-MXOVAJDFSA-N	315.298	4.506	50	20	DJGD	
CSc1ccc(/C=C(\C#N)C(=O)c2ccc(C)c(C)c2)cc1	809160682	XMSYJUYJFGGMNO-GZTJUZNOSA-N	307.418	4.815	50	20	DJGD	
Cc1ccc(/C=C(/C#N)c2nc3ccccc3n2C(F)F)s1	255866509	QUMVERSUEXXRJP-FLIBITNWSA-N	315.348	4.866	50	20	DJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2ccc(COC)cc2)cc1	741851510	BNCTXELKBRMQPE-MOSHPQCFSA-N	319.404	4.575	50	20	DJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/C=C/c3ccccc3)c[nH]c2c1	746684965	VWZMYJPRYKHBHB-BDKUJZOCSA-N	312.372	4.822	50	20	DJGD	
CCSc1cccc(/C=C(\C#N)C(=O)c2sccc2C)c1	769724086	FGHJTARSTALCJE-NTEUORMPSA-N	313.447	4.958	50	20	DJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc3ccccc3o2)c1C	810196623	KXQXFFISTNWDKJ-WJDWOHSUSA-N	316.360	4.595	50	20	DJGD	
CCCCc1ccc([C@@H](NC(=O)CCl)c2cccs2)cc1	1116434035	JXDFQTJGSNLJRQ-QGZVFWFLSA-N	321.873	4.535	50	20	DJGD	
N#C/C(=C\c1ccc(F)c(F)c1)c1nc2cc(F)ccc2s1	730150941	NOWMAGMBJMBBAB-BJMVGYQFSA-N	316.307	4.778	50	20	DJGD	
CCc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)s1	731155562	KYRLLKOYPUGQID-XFXZXTDPSA-N	306.390	4.582	50	20	DJGD	
N#C/C(=C\c1cccc(OC2CCCC2)c1)C(=O)C1CCCC1	781553180	NKTSUZYALWYGSU-SFQUDFHCSA-N	309.409	4.674	50	20	DJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(C)cc2)ccc1SC	184838373	DIURHYLJQBMRCZ-MHWRWJLKSA-N	323.417	4.515	50	20	DJGD	
CC(C)(C)C(=O)/C(C#N)=C\c1cc(C(F)(F)F)ccc1Cl	753682130	CZQPNFKWWJYQGK-POHAHGRESA-N	315.722	4.881	50	20	DJGD	
N#C/C(=C\c1ccc(-c2ccc(F)cc2)s1)C(=O)c1ccoc1	798229969	KHENVDUTMFORPE-NTEUORMPSA-N	323.348	4.937	50	20	DJGD	
CC(C)[C@@H](CC(F)(F)F)NCCO[Si](C)(C)C(C)(C)C	808750393	NSJLHQSGIGCFKB-GFCCVEGCSA-N	313.480	4.575	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2c(F)cccc2Cl)c1C	727827380	BMXOFOXTHSJNNE-UKTHLTGXSA-N	313.759	4.886	50	20	DJGD	
C[C@H]1CCC[C@@H](C)[C@@H]1NC(=O)CCCC[C@@H]1CCSS1	736110812	GKAFTXVDSPIMRQ-CTASWTNQSA-N	315.548	4.641	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cccc(OC2CCCC2)c1	741475209	WGFIVKTVEDFAEN-YHZJOHHESA-N	311.425	4.920	50	20	DJGD	
CCCC[C@@H](C)N(C)C(=O)CCCC[C@H]1CCSS1	811958784	HNTOJRDUHQMNSD-KGLIPLIRSA-N	303.537	4.738	50	20	DJGD	
Cc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(C)c1	6410949	XTIACZYYPLCGFG-MHWRWJLKSA-N	324.811	4.811	50	20	DJGD	
Cc1ccc(/C=C(\C#N)c2nc3cc(F)ccc3s2)cc1F	731489760	LQEQHMPYQMZYIP-WUXMJOGZSA-N	312.344	4.947	50	20	DJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2cc3cc(F)ccc3o2)c1	741842695	GVDUGGVMEDTXMO-MHWRWJLKSA-N	319.335	4.979	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/c1csc(Cl)c1Cl	761387859	YZKHLAXZCGYOPS-WEVVVXLNSA-N	302.226	4.967	50	20	DJGD	
CCCCOc1ccccc1/C=C(\C#N)C(=O)c1ccoc1C	767352092	NNXHNJIWUVIATB-FOWTUZBSSA-N	309.365	4.557	50	20	DJGD	
O=C(/C=C/c1ccc(OCCCCl)cc1)c1cccs1	811684675	ANTXQGNJKWGFOL-RMKNXTFCSA-N	306.814	4.652	50	20	DJGD	
Cc1nc(/C(C#N)=C\c2ccc3c(c2)CC(C)(C)O3)sc1C	125400287	JPVWWYMRIBPSDV-NVNXTCNLSA-N	310.422	4.538	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cnc(-c2cccs2)s1	177615861	ZBKMTTAYRWNMMI-OYGDSYQHSA-N	316.451	4.784	50	20	DJGD	
O=C(NNc1ccccc1)Nc1cccc(-c2ccccc2)c1	806760672	SJIHWOWCCHWXFR-UHFFFAOYSA-N	303.365	4.502	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccsc1	175622612	DBBAAEAFGOLZEB-UHFFFAOYSA-N	316.451	4.698	50	20	DJGD	
Cc1cc(Br)cc(O[Si](C)(C)C(C)(C)C)n1	202033299	NPTWRDYNAJODTA-UHFFFAOYSA-N	302.288	4.537	50	20	DJGD	
CC(C)N(C(=O)CCCC[C@@H]1CCSS1)C1CCCC1	732761212	CACJINPITOAKEW-OAHLLOKOSA-N	315.548	4.880	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cc(C(F)(F)F)ccc1F	741475395	ZLRXASQHOFDCTM-VPMLRQHESA-N	313.294	4.757	50	20	DJGD	
COc1ccc(/C=C(\C#N)c2nc(C(C)C)cs2)c(Cl)c1	747439091	FLYXURNUNNQNGH-WUXMJOGZSA-N	318.829	4.993	50	20	DJGD	
Cc1csc(/C(C#N)=C\c2ccc(F)c(Cl)c2Cl)n1	761392976	QXUZVMVMSHDXRX-WTKPLQERSA-N	313.184	4.962	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C\c1csc(Cl)c1Cl	761387858	YZKHLAXZCGYOPS-UITAMQMPSA-N	302.226	4.967	50	20	DJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)c1cccc(C(F)(F)F)c1	780374921	QWIIZDCCTOSPEC-MDWZMJQESA-N	319.257	4.634	50	20	DJGD	
N#C/C(=C\c1csc(C2CC2)n1)C(=O)c1ccc(Cl)s1	783687043	DFYJRWWPDQWYGI-WEVVVXLNSA-N	320.826	4.525	50	20	DJGD	
CC(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCl	1341509720	MLPYJFVSNKGMJF-UHFFFAOYSA-N	322.663	4.607	50	20	DJGD	
CC[C@H](OC)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	276902119	ORXXTZAUMIWDCG-JTQLQIEISA-N	319.295	4.708	50	20	DJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(Cl)c(C(F)(F)F)c1	727266907	JMVOBMGMSFODJA-NJQKBMNKSA-N	315.722	4.881	50	20	DJGD	
N#C/C(=C/c1ccc2c(c1)CCC2)C(=O)c1cc2ccccc2o1	1318724184	JXUCUEUSQXUEFD-WQRHYEAKSA-N	313.356	4.711	50	20	DJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cc2cccc(C)c2nc1Cl	726595052	STVMDTJJVLAPOX-GPILYODUSA-N	312.800	4.719	50	20	DJGD	
C=CCOc1ccc(/C=C(\C#N)C(=O)[C@H](C)CCC)cc1Cl	741470024	OVSILKDUUBEIAX-QQFZQELXSA-N	317.816	4.817	50	20	DJGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1ccc(F)cc1C(F)(F)F	771839367	WNMJFWJZTNOCCP-WDZFZDKYSA-N	313.294	4.757	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccsc1C(F)(F)F	863186187	QSUBSDMJPRXNLU-FKVCUQLRSA-N	301.333	4.679	50	20	DJGD	
N#C/C(=C\c1ccc2c(c1)CCC2)C(=O)c1ccc(Cl)s1	1325202225	UZCCSQSKUPBPAG-NTEUORMPSA-N	313.809	4.680	50	20	DJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1ccccc1Cl	6588685	JKLYUXWTCJQWQA-GXDHUFHOSA-N	320.779	4.920	50	20	DJGD	
CC(C)(C)c1ccc(/C=C(/C#N)C(=O)c2ccc(F)cc2)cc1	730590227	XAMMHLYZOSLQQE-VBKFSLOCSA-N	307.368	4.913	50	20	DJGD	
Cc1cc(C)c(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)cc1C	735619778	QYHHATWMJGANHG-LICLKQGHSA-N	301.393	4.861	50	20	DJGD	
Cc1ccc(-c2ccc(/C=C(\C#N)c3ccncn3)s2)cc1	758916197	PKCYQNHUDPDIII-XNTDXEJSSA-N	303.390	4.578	50	20	DJGD	
CCCOc1ccc(/C=C(\C#N)C(=O)c2ccc(C)cc2)cc1	764886191	MRGIFZREVNIMIA-QGOAFFKASA-N	305.377	4.574	50	20	DJGD	
C=C(CBr)CN[C@@H](C)c1csc2ccccc12	791490618	LVVFMHIKJAGSMW-NSHDSACASA-N	310.260	4.503	50	20	DJGD	
Cc1cc(C)c(C(=O)NNc2c(C)cccc2C(C)C)c(C)c1	794952608	GTFRQYZYPLGQOU-UHFFFAOYSA-N	310.441	4.801	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1csc(C(F)(F)F)c1	863190308	RTNGGRQJWRJBDH-BJMVGYQFSA-N	301.333	4.679	50	20	DJGD	
CCc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)s1	2738055	BLFALUKQIVISPZ-LUAWRHEFSA-N	316.813	4.510	50	20	DJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(F)ccc23)cc1F	731490140	RZQNFZBIHKFBBQ-MLPAPPSSSA-N	322.314	4.544	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(C(C)C)c([N+](=O)[O-])c1	741473776	KYYULZSGXKXXFH-GULXKOIASA-N	314.385	4.630	50	20	DJGD	
CC[C@H](C(=O)NNc1ccc(C(C)(C)C)cc1)c1ccccc1	780802264	HGUIBHKVCHCHLW-SFHVURJKSA-N	310.441	4.621	50	20	DJGD	
N#C/C(=C\c1ccc(Cl)cc1)C(=O)c1ccc(Cl)s1	783687498	LCFYVAWGDGUAOA-JXMROGBWSA-N	308.189	4.845	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C/c3ccc([C@@H]4C[C@@H]4C)o3)[nH]c12	735669561	PLURDEPDKCYURO-LLUOOSNXSA-N	303.365	4.652	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(C)n(C3CC3)c2C)cc1	764892245	UKULDXSWTSXXRS-WOJGMQOQSA-N	304.393	4.538	50	20	DJGD	
C[C@H](CBr)CN[C@@H](C)c1cccc2ccccc12	770665008	BDWBRBYRLRMMFW-OLZOCXBDSA-N	306.247	4.521	50	20	DJGD	
N#C/C(=C/c1ccc(Cl)cc1F)C(=O)c1cc(F)cc(F)c1	772176021	KEFSSYMDXDDJSN-JYOAFUTRSA-N	321.685	4.547	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(C(F)(F)F)s1	794873375	DIIFZORPFFNSSV-VQHVLOKHSA-N	301.333	4.679	50	20	DJGD	
N#C/C(=C/C=C\c1ccccc1)c1cc(C(F)(F)F)ccn1	812248091	CXIQYEHYAVRGEY-STIUHYITSA-N	300.283	4.721	50	20	DJGD	
N#C/C(=C\c1ccc(-c2ccccc2)o1)C(=O)c1ccccc1F	917519259	PUMGKGAMXLKAOW-NTCAYCPXSA-N	317.319	4.876	50	20	DJGD	
Cc1ccccc1-c1nnc([C@H](Br)C(C)(C)C)o1	1327932552	OUTNMHCEIYZZJS-NSHDSACASA-N	309.207	4.527	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc(C)c(OC(F)F)c(C)c1	741468574	FNQOEFHGAPYVMU-ZRRZQRFHSA-N	321.367	4.817	50	20	DJGD	
CCCN(N=C[C@@H](C)c1ccc(F)cc1)C(=O)OC(C)(C)C	794997691	CERGFFSTFRHJNA-CYBMUJFWSA-N	308.397	4.562	50	20	DJGD	
C[C@@H]1CCCC[C@H]1N(C)C(=O)CCCC[C@@H]1CCSS1	913509039	RIXJOVWNJZJCEO-RBSFLKMASA-N	315.548	4.738	50	20	DJGD	
Cc1cc(/C=C(/C#N)C(=O)c2ccsc2)c(C)n1CC(C)C	917621760	DFDYGTMEPSTUKU-IUXPMGMMSA-N	312.438	4.612	50	20	DJGD	
O=C(C1CCC(Cl)CC1)N1CCCCC[C@H]1c1ccco1	1123581374	ZGUATQPNPDRISZ-NRXISQOPSA-N	309.837	4.521	50	20	DJGD	
C[C@H](c1ccc(Oc2ccccc2)cc1)N1CC=C(C#N)CC1	1645166632	YZOMSKXJUAODGO-MRXNPFEDSA-N	304.393	4.696	50	20	DJGD	
N#C/C(=C\c1ccc(C(F)(F)F)cc1)C(=O)c1ccccc1F	8201671	DCURIJAHNPEAOV-FMIVXFBMSA-N	319.257	4.634	50	20	DJGD	
N#C/C(=C\c1cccnc1Cl)c1nc(-c2ccccc2)cs1	171350800	NVJRSDDIBKZPED-NTEUORMPSA-N	323.808	4.923	50	20	DJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(N(C)c2ccccc2)cc1	726594754	PQVFWRLUQRRSPC-VVZNPABPSA-N	318.420	4.977	50	20	DJGD	
CC(C)=CCC/C(C)=C/C=NNC(=O)c1cccc2ncccc12	730146684	CNKDKAKIEWOKMM-MOMIPYRTSA-N	321.424	4.643	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cccc(-c2ccccn2)c1	794875819	ZORRGPSTIBZAMO-LGMDPLHJSA-N	304.393	4.661	50	20	DJGD	
N#C/C(=C\c1ccccc1OC(F)F)c1nc(C2CC2)cs1	864095881	KNIOZVRBIZBVNK-KPKJPENVSA-N	318.348	4.686	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1cccc2ccccc12	915989878	HEFFKWMBYQTUPN-LFIBNONCSA-N	303.386	5.000	50	20	DJGD	
CCc1cccc(C)c1NNC(=O)c1c(CC)oc2ccccc12	1322625776	JZUHCJOQNYIJIQ-UHFFFAOYSA-N	322.408	4.623	50	20	DJGD	
C=CCCC(CC)=NNC(=O)c1ccc(-n2c(C)ccc2C)cc1	750918233	STDWRLIAMJRSNB-UHFFFAOYSA-N	323.440	4.556	50	20	DJGD	
CN(C(=O)/C(C#N)=C/c1cc2ccccc2s1)C1CCCCC1	758419557	XXUXLIFLGPGBQL-NTCAYCPXSA-N	324.449	4.599	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(C(C)C)oc1C	812767294	WOXFZTRZZPUVHU-UHFFFAOYSA-N	314.429	4.900	50	20	DJGD	
FCC(CF)NCc1cccc(S(F)(F)(F)(F)F)c1	922151641	QBSXQPZUNIRBNS-UHFFFAOYSA-N	311.266	4.741	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C\c3cnc(C(C)C)s3)[nH]c12	758417864	JEZPXPGDWCTTSP-GHXNOFRVSA-N	308.410	4.515	50	20	DJGD	
Cc1cc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)cnc1Cl	797399005	NPQXXJVQOHDHFG-SDQBBNPISA-N	317.845	4.862	50	20	DJGD	
N#C/C(=C/c1cc2cc(Cl)cnc2o1)C(=O)C1CCCCC1	834430326	LDFIGZWFRHLOSC-JYRVWZFOSA-N	314.772	4.538	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cccc(C(F)(F)F)c2)s1	729823059	HDJIATVLTKPZRG-KPKJPENVSA-N	321.323	4.865	50	20	DJGD	
CCSc1cccc(/C=C(\C#N)c2nc(C)c(C)s2)c1	769740484	FWJFWFOWUQKCPI-RIYZIHGNSA-N	300.452	4.936	50	20	DJGD	
Cc1cc(/C(C#N)=C\c2ccc3cnccc3c2)ccc1[N+](=O)[O-]	782351391	JVHMNDKARUELHC-ZDLGFXPLSA-N	315.332	4.516	50	20	DJGD	
CC(CCC(C)C)=NNC(=O)c1ccc(Cl)cc1Cl	916360312	OGVLOTAAVVYWBW-UHFFFAOYSA-N	301.217	4.535	50	20	DJGD	
CC(C)c1ncc(/C=C(/C#N)C(=O)c2cccc(Cl)c2)s1	123477118	DQZGMKUHMBLGDE-GHXNOFRVSA-N	316.813	4.710	50	20	DJGD	
COc1ccc2cc(/C=C(/C#N)c3nc(C)cs3)ccc2c1	211694814	NJXYFEOSDHMKOI-PXNMLYILSA-N	306.390	4.678	50	20	DJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc([C@@H]3C[C@@H]3C)o2)c(C)c1	211976690	XOJMIBGBVZDHJC-NRXCIGNBSA-N	320.392	4.566	50	20	DJGD	
N#C/C(=C/c1sccc1Cl)C(=O)c1ccc(Cl)s1	588600727	JODACSHZMZFRGG-ALCCZGGFSA-N	314.218	4.906	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(Br)c(C)c1	746392777	FOONPXHHWFLHRV-NTEUORMPSA-N	320.230	4.670	50	20	DJGD	
Cc1cccc([C@@H](C)C(=O)NNc2cc(Cl)cc(Cl)c2)c1	791734208	JYUBUDZEMQWMMB-LLVKDONJSA-N	323.223	4.549	50	20	DJGD	
N#C/C(=C\c1ccc(Cl)cc1)C(=O)c1ccc2ncccc2c1	794886048	XWZDFBFXJNETFU-MHWRWJLKSA-N	318.763	4.678	50	20	DJGD	
Cc1nccn1Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	792870147	GTNLHMLARDZZTO-UHFFFAOYSA-N	316.521	4.762	50	20	DJGD	
Cc1cc(N(C)C)ccc1/C=C(/C#N)c1nc(C(C)C)cs1	840716661	NHRMOPYBBBEFOQ-DHDCSXOGSA-N	311.454	4.705	50	20	DJGD	
Cc1ccccc1NNC(=O)c1cc2c(Cl)cccc2s1	865512826	JFBSPSNNEUWCCJ-UHFFFAOYSA-N	316.813	4.620	50	20	DJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2cc3ccccc3o2)c1	918736179	SHAXAHMTUJVSAM-GZTJUZNOSA-N	301.345	4.840	50	20	DJGD	
Cc1oc2ccccc2c1/C=C(/C#N)c1nc2ccccc2n1C	133035128	UUPXXXWHELUEIH-KAMYIIQDSA-N	313.360	4.692	50	20	DJGD	
Cc1csc(/C(C#N)=C/c2cc(C)c(C)cc2OC(F)F)n1	174056645	NBHVXPZDKRBRSF-AWNIVKPZSA-N	320.364	4.734	50	20	DJGD	
CCO[C@H](C)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	186055520	XBUJAPNARNSOMV-MRVPVSSYSA-N	319.295	4.708	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc(C(F)(F)F)ccc1F	741475389	ZLRXASQHOFDCTM-BZPKPHBRSA-N	313.294	4.757	50	20	DJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2cc(F)cc(F)c2)s1	797397726	ATQLSJGEAVSDPC-NYYWCZLTSA-N	304.365	4.783	50	20	DJGD	
CC(C)OC(=O)/C(C#N)=C\c1c(Cl)ccc(Cl)c1Cl	817924437	RAILMQMXCQZIIE-YVMONPNESA-N	318.587	4.505	50	20	DJGD	
COCc1csc(/C=C(\C#N)c2nc(C(C)C)cs2)c1	849180193	ZBJHEUOHKYKPGO-LFYBBSHMSA-N	304.440	4.539	50	20	DJGD	
N#CC(C#N)=Cc1ccc(-c2ccc(C(F)(F)F)cc2)s1	23389700	AHLFVLRALKIYGA-UHFFFAOYSA-N	304.296	4.864	50	20	DJGD	
CCC1(C)CCC(=NNC(=O)c2cc3ccccc3cc2O)CC1	751516479	IXILLOUUNYEYMW-UHFFFAOYSA-N	324.424	4.622	50	20	DJGD	
N#C/C(=C\c1ccc(OCc2ccccc2)cc1)c1ccccn1	5068203	FJKOVUKYJIQYAT-XMHGGMMESA-N	312.372	4.725	50	20	DJGD	
N#C/C(=C\c1cccc(Cl)c1Cl)C(=O)c1ccccc1F	8201723	QFJBVECAFLALOJ-DHZHZOJOSA-N	320.150	4.922	50	20	DJGD	
N#C/C(=C\c1ccc(Cl)cc1Br)c1ccccn1	178985362	PGWVJNSKDACDRH-YRNVUSSQSA-N	319.589	4.562	50	20	DJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2ccc(C)o2)cc1	211683189	OAQZMKVIRJKUML-RERGGYADSA-N	308.381	4.647	50	20	DJGD	
CCC(CC)N(C(=O)CCCC[C@@H]1CCSS1)C1CC1	728520725	QELMSSXWVHQUGD-OAHLLOKOSA-N	315.548	4.880	50	20	DJGD	
Cc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c1C	731156077	ZQRBXZIEKVGRHV-XNTDXEJSSA-N	310.784	4.503	50	20	DJGD	
Cc1ccc(F)cc1/C=C(\C#N)C(=O)c1cc2ccccc2o1	777871352	KVEHXCNXVCAMGZ-OVCLIPMQSA-N	305.308	4.670	50	20	DJGD	
CCc1ccc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)s1	812248186	GKRBIOHYLHAPMH-JXMROGBWSA-N	308.328	4.788	50	20	DJGD	
Cc1ccc(NNC(=O)[C@H](C)c2cccc(Cl)c2)cc1Cl	1318759540	JGFGGTUIGVVXID-LLVKDONJSA-N	323.223	4.549	50	20	DJGD	
Cc1csc(/C(C#N)=C\c2ccc(F)c(C(F)(F)F)c2)n1	179176153	UZXGKIGPTVQZKE-WMZJFQQLSA-N	312.291	4.674	50	20	DJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2sccc2Cl)c(C)c1	195223610	LUUVUOIDBQWCJZ-WQLSENKSSA-N	316.813	4.564	50	20	DJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/C=C\c1ccccc1	211662492	QTQUJNSZDWZKEL-OBZOKPQWSA-N	312.372	4.822	50	20	DJGD	
O=C(NN=CC1CCCCCC1)c1ccc(Cl)cc1Cl	741837330	IJKIZJXOQGYVMG-UHFFFAOYSA-N	313.228	4.679	50	20	DJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cccc(CCl)c2)c1C	799889983	XQPMJJPVNHODEP-LICLKQGHSA-N	324.811	4.588	50	20	DJGD	
Cc1ccc(C)c(NNC(=O)c2cc3cccc(C)c3s2)c1	809730788	FBHLLTLNZTXFPT-UHFFFAOYSA-N	310.422	4.583	50	20	DJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C\c2cccc(F)c2)cc1	915862769	WUDXXKVDXYRJLO-WJDWOHSUSA-N	307.368	4.913	50	20	DJGD	
COCc1ccc(/C=C(/C#N)C(=O)c2ccc(C(C)(C)C)cc2)o1	130337479	UXUBCVBPGBATEO-PTNGSMBKSA-N	323.392	4.513	50	20	DJGD	
N#C/C(=C/c1cccc(Oc2ccccc2)c1)C(=O)c1ccco1	212646732	XNCIREGXJNNHPC-VBKFSLOCSA-N	315.328	4.862	50	20	DJGD	
N#C/C(=C/c1ccc(Cl)c(Cl)c1)C(=O)c1ccc(F)cc1	212692645	OIEYCTSGVICXCH-GHXNOFRVSA-N	320.150	4.922	50	20	DJGD	
C[C@H]1CC(NC(=O)CCCC[C@@H]2CCSS2)C[C@H](C)C1	739809224	GLPMLGRSXLZMLQ-UMVBOHGHSA-N	315.548	4.641	50	20	DJGD	
CCn1c2ccccc2c2cc(/C=C(/C#N)C(=O)C(C)C)ccc21	71923701	IMPYZEWGUIEVCA-WJDWOHSUSA-N	316.404	4.946	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C[C@@H](C)C1CC1	748667688	NRVOITRLGLERFG-GFCCVEGCSA-N	316.470	4.759	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc(C)ccc1OC(F)F	756789303	WVXAMNVXUFZRII-IGVUGNCQSA-N	307.340	4.509	50	20	DJGD	
Cc1cc(/C(C#N)=C/c2ccc3ncccc3c2)ccc1[N+](=O)[O-]	774560472	YNTIDNOQIWITEM-GZTJUZNOSA-N	315.332	4.516	50	20	DJGD	
N#C/C(=C/c1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1	15799055	ZRJRKTNKOKUEBI-LCYFTJDESA-N	318.254	4.678	50	20	DJGD	
N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)c1ccco1	16882506	ARHCDGCGYROELU-ZRDIBKRKSA-N	323.735	4.983	50	20	DJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc([C@H]2C[C@@H]2C)o1	8117356	BKLILRBQXJYMLT-QIXNYHOWSA-N	320.392	4.566	50	20	DJGD	
Cc1nc(/C(C#N)=C\c2ccccc2OC(F)(F)F)sc1C	125419839	JKWDAMQODGIFQK-GHXNOFRVSA-N	324.327	4.723	50	20	DJGD	
C[C@H]1OCC[C@@H]1Nc1cccc(S(F)(F)(F)(F)F)c1	184034912	PRYVQQNRHLEIAV-KCJUWKMLSA-N	303.296	4.933	50	20	DJGD	
Cc1cc(/C=C(/C#N)C(=O)c2ccccc2F)c(C)n1CC(C)C	212680209	SSOBZLOCDQSSHY-YVLHZVERSA-N	324.399	4.690	50	20	DJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2nc(Cl)cs2)cc1	759069592	ACYJERIRFJWAMN-JYRVWZFOSA-N	316.813	4.539	50	20	DJGD	
C/C(=C\C(=O)NNc1c(Cl)cccc1Cl)c1ccccc1	763617093	DDHPJGSYUPFCRV-ZHACJKMWSA-N	321.207	4.540	50	20	DJGD	
Cc1cc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)ccc1F	797398155	FFWSOJZZSKVECR-JYRVWZFOSA-N	300.402	4.952	50	20	DJGD	
C/C(=C/c1cccc(CCl)c1)c1nc(O)c2ccsc2n1	799891207	AVTGCOANHADYHA-YFHOEESVSA-N	316.813	4.696	50	20	DJGD	
CC(C)c1ccc(C(=O)NNc2ccccc2C(F)(F)F)cc1	68773544	KSGMODOCRNSFMT-UHFFFAOYSA-N	322.330	4.586	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1ncc(C(C)(C)C)s1	280746815	WWVGXOUZOGTTEF-YRNVUSSQSA-N	316.451	4.600	50	20	DJGD	
CCCN(N=C1CC[C@H](c2ccccc2)C1)C(=O)OC(C)(C)C	814927781	GBZSBUPOPFNXBC-INIZCTEOSA-N	316.445	4.957	50	20	DJGD	
COc1cc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)ccc1F	1321571732	FUXDKJYKCKKMAU-GHXNOFRVSA-N	316.401	4.652	50	20	DJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cnc(C(C)C)s2)c1	123491319	ULNMYXGYRCWUBG-NVNXTCNLSA-N	310.422	4.673	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C[C@H]1C=CCC1	175630864	OYMMXTCSMGYOFZ-ZDUSSCGKSA-N	314.454	4.679	50	20	DJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cc(Cl)cs1	491084147	NGXFGUKXOVPANB-WUXMJOGZSA-N	316.813	4.564	50	20	DJGD	
N#C/C(=C\c1cc(Cl)cs1)C(=O)c1ccc2ncccc2c1	794885874	WPYJQFZCPILHMV-NTUHNPAUSA-N	324.792	4.740	50	20	DJGD	
CC[C@]1(C)CCCN(C(=O)CCCC[C@@H]2CCSS2)C1	742863057	ORZNCHZXPXTZNN-GDBMZVCRSA-N	315.548	4.739	50	20	DJGD	
CC[C@H](C=NNC(=O)c1ccc2ccccc2c1)c1ccccc1	814810266	FICULYNVWMUFBA-MRXNPFEDSA-N	316.404	4.749	50	20	DJGD	
Cc1ccc(NC(=O)CCCC[C@@H]2CCSS2)cc1C	136711289	QUKVWYOIEGVJPC-OAHLLOKOSA-N	309.500	4.956	50	20	DJGD	
CCSc1cccc(/C=C(\C#N)c2cnc3ccccc3n2)c1	191349975	ZCMOSLPINNBZPH-XNTDXEJSSA-N	317.417	4.806	50	20	DJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2ncc(C(C)(C)C)s2)c1	790602716	FXKOBQYWZAREFS-OQLLNIDSSA-N	324.449	4.847	50	20	DJGD	
Cc1cc(C)c(/C=C(\C#N)c2nc(-c3ccccc3)no2)c(C)c1	916132148	VYIDFCJPDJZZPC-GZTJUZNOSA-N	315.376	4.726	50	20	DJGD	
CCCC1CCC(=NNC(=O)c2cccc3ccccc23)CC1	6039516	OXQVSCYVFQLNKA-UHFFFAOYSA-N	308.425	4.916	50	20	DJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)c1cc[nH]c1	183985024	GJIOWNGIMOFDOI-UHFFFAOYSA-N	312.263	4.924	50	20	DJGD	
CC(C)CC(=O)/C(C#N)=C\c1ccccc1OCc1ccccc1	726119739	BYAFKAWGLJXZJY-UYRXBGFRSA-N	319.404	4.788	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C/c3cccc(OC(C)C)c3)[nH]c12	735618938	HLSTTXFOUBGACL-MHWRWJLKSA-N	317.392	4.723	50	20	DJGD	
C[C@@H]1CCC[C@@H](CNC(=O)CCCC[C@@H]2CCSS2)C1	919829709	UBCLPQGYJOPNDA-RBSFLKMASA-N	315.548	4.643	50	20	DJGD	
N#C/C(=C/c1cnc(-c2ccccc2)s1)C(=O)c1ccsc1	255913019	XNOBZCWQGLURAM-ZSOIEALJSA-N	322.414	4.661	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(Cl)ccc2F)s1	753683483	QOVRYUSLCSXQCS-IZZDOVSWSA-N	305.761	4.639	50	20	DJGD	
CC[C@](C)(O)CNCc1cccc(S(F)(F)(F)(F)F)c1	921703908	CVPSBXPJLSMLIE-LBPRGKRZSA-N	319.339	4.595	50	20	DJGD	
Cc1ccc(NNC(=O)c2cccc(C3CCC3)c2)cc1Cl	1322585254	HMXWPTWRAUYMPB-UHFFFAOYSA-N	314.816	4.673	50	20	DJGD	
N#C/C(=C\c1ccccc1OCc1ccccc1)c1ccccn1	7155288	HTHDREKWNLWDLB-XMHGGMMESA-N	312.372	4.725	50	20	DJGD	
Cc1ccc(C)c(NNC(=O)c2ccccc2SC(C)C)c1	127599223	XGSMCMVTONAGRY-UHFFFAOYSA-N	314.454	4.561	50	20	DJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1cc2ccccc2o1	192538646	FMEOYDIUFMBXJW-WJDWOHSUSA-N	316.360	4.595	50	20	DJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2c(C)cc(C)cc2C)c(C)c1	211879524	GUSCDWCJLJJJOA-WQRHYEAKSA-N	318.420	4.774	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2ccccc2OC(C)C)c1C	727655220	RGMKPSUTWYPYRS-PDGQHHTCSA-N	319.404	4.881	50	20	DJGD	
Cc1ccnc2[nH]c(/C(C#N)=C/c3csc4ccccc34)nc12	741474747	ZDULRBWTYSJNNM-XYOKQWHBSA-N	316.389	4.545	50	20	DJGD	
N#C/C(=C\c1ccc2ccccc2c1)C(=O)Nc1ccc(F)cc1	6341945	YYALSSXEWJDGBY-SFQUDFHCSA-N	316.335	4.525	50	20	DJGD	
CC(=C\c1ccccc1)/C=C(\C#N)C(=O)Nc1ccc(C)cc1C	7160153	RGOUCKOZEBEPRH-BLAZZTHISA-N	316.404	4.795	50	20	DJGD	
CCCOCC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	186049167	MMBPABKGGHGVPK-UHFFFAOYSA-N	319.295	4.709	50	20	DJGD	
CSc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1	211889852	UNFXBWWBNRDTKL-WJDWOHSUSA-N	322.433	4.571	50	20	DJGD	
C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)CCCC[C@@H]1CCSS1	733182197	QGQIYPIIIFJZED-BARDWOONSA-N	315.548	4.641	50	20	DJGD	
CCC(=NNC(=O)c1cccc2ccccc12)C1CCCCC1	741462859	PRHSRQIIMAFUNF-UHFFFAOYSA-N	308.425	4.916	50	20	DJGD	
O=C(CCCCCc1cccs1)NNc1ccccc1Cl	748318135	IMFFNQSGCCHSRF-UHFFFAOYSA-N	322.861	4.648	50	20	DJGD	
CC[C@H](C)c1ccc(C(=O)NNc2ccc(Cl)cc2)cc1	749271035	PKFGRBVRTINBSW-LBPRGKRZSA-N	302.805	4.610	50	20	DJGD	
CCOc1ccc(/C=C(/C#N)c2nc(C(C)C)cs2)cc1F	780004147	GIRREJBWFFYRMH-QPEQYQDCSA-N	316.401	4.868	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccc(OCC2CC2)cc1	790099113	DGLKDRVWFRTNTF-YBEGLDIGSA-N	323.417	4.635	50	20	DJGD	
COc1cccc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)c1F	799893046	DDXTUWIRRRBLMT-WQLSENKSSA-N	316.401	4.652	50	20	DJGD	
CSc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1	7750734	UNFXBWWBNRDTKL-LFIBNONCSA-N	322.433	4.571	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C\c3ccc([C@@H]4C[C@H]4C)o3)[nH]c12	735669562	PLURDEPDKCYURO-UFNPXJETSA-N	303.365	4.652	50	20	DJGD	
CCc1ccc(-c2ccc(C(=O)NNc3ccc(C)cc3)o2)cc1	749193940	OSRVSHZGDJKNLY-UHFFFAOYSA-N	320.392	4.574	50	20	DJGD	
N#C/C(=C/c1ccc2cnccc2c1)C(=O)c1cc2ccccc2o1	779798305	NRXBKZFXJQIZLD-ZDLGFXPLSA-N	324.339	4.771	50	20	DJGD	
Cc1csc(/C(C#N)=C\c2ccc(Oc3ccccc3)o2)n1	588409954	LJZNQQKAAUHJAB-LCYFTJDESA-N	308.362	4.901	50	20	DJGD	
CC[C@@H]1CCCC[C@H]1NC(=O)CCCC[C@@H]1CCSS1	915084419	JOYGUBVGJJIPDF-RBSFLKMASA-N	315.548	4.786	50	20	DJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2ccccc2Cl)c1C	915857225	OYJLLPZJRWNSBK-WJDWOHSUSA-N	324.811	4.734	50	20	DJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccc(F)cc2C)c(C)c1	195171977	LDKQSZYRINRESY-LICLKQGHSA-N	322.383	4.605	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(C(F)(F)F)cc2)s1	729824174	YUCWZMWPHVPGDB-WQLSENKSSA-N	321.323	4.865	50	20	DJGD	
N#C/C(=C/c1cc2cc(F)ccc2o1)c1ccc([N+](=O)[O-])cc1	741840066	FJMAMJFLZFBLEI-LCYFTJDESA-N	308.268	4.544	50	20	DJGD	
N#C/C(=C\c1cccc(-c2ccccn2)c1)c1nc2ccccc2[nH]1	747690000	CNBARQUYDOUIGN-GHRIWEEISA-N	322.371	4.689	50	20	DJGD	
N#C/C(=C/c1ccc(Cl)c(Cl)c1)C(=O)c1cccc(F)c1	772179905	STLWSKFGEWLCOD-SDQBBNPISA-N	320.150	4.922	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1cccc(CCl)c1	799892084	VTPDIGZMZZWLNN-RIYZIHGNSA-N	301.798	4.585	50	20	DJGD	
CCC(=NNC(=O)c1ccc(-c2ccc(F)cc2)s1)C(C)C	917029712	OIQQATHDOZCSPM-UHFFFAOYSA-N	318.417	4.706	50	20	DJGD	
N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)c1ccc(F)cc1	8202514	OIEYCTSGVICXCH-KPKJPENVSA-N	320.150	4.922	50	20	DJGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccc(F)c(C(F)(F)F)c1	179176272	SJAQAAHHHWBMLD-WDZFZDKYSA-N	323.245	4.536	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	726183341	IECKNCXNUFWMPU-VCHYOVAHSA-N	300.446	4.673	50	20	DJGD	
CC(C)C(=O)/C(C#N)=C/c1cc(Cl)ccc1OC1CCCC1	742432886	IXQHEVVNNCIMJH-NTEUORMPSA-N	317.816	4.793	50	20	DJGD	
N#C/C(=C/c1cc(Cl)ccc1Cl)C(=O)c1ccccc1	753682578	GCHPMACRWHABIZ-JYRVWZFOSA-N	302.160	4.783	50	20	DJGD	
Cc1cccnc1[C@@H](NCCO[Si](C)(C)C(C)(C)C)C(C)C	788020129	NMCVHHBZKLACRR-INIZCTEOSA-N	322.569	4.699	50	20	DJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2cccc(F)c2F)s1	797397961	COVABWYSCPGTEG-XFFZJAGNSA-N	304.365	4.783	50	20	DJGD	
C[C@H](CC(C)(C)C#N)OC(=O)CCCC[C@H]1CCSS1	851211847	CYSZPEXEVZGEFH-OLZOCXBDSA-N	315.504	4.572	50	20	DJGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)o1	11297707	YWTSKLCSCUGHJR-DHQBTWJTSA-N	311.768	4.846	50	20	DJGD	
O=C(NCC1CC1)Nc1cccc(S(F)(F)(F)(F)F)c1	184419399	BVMHNKPRCOVEDN-UHFFFAOYSA-N	316.295	4.876	50	20	DJGD	
CC(C)[C@@H]1CCCCN1C(=O)CCCC[C@H]1CCSS1	735285904	XRSRYCKZKUDKMG-GJZGRUSLSA-N	315.548	4.738	50	20	DJGD	
Cc1ccc(NNC(=O)[C@H](C)c2ccc(Cl)c(Cl)c2)cc1	749201058	VXMXRVXSPREFSX-LLVKDONJSA-N	323.223	4.549	50	20	DJGD	
CCOc1c(Cl)cccc1/C=C(\C#N)C(=O)C(CC)CC	780004494	MVKJDVMORONAGD-GXDHUFHOSA-N	305.805	4.651	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ncc(C(C)(C)C)s2)cc1C	809160171	INYRJHAAFAKRLK-DHDCSXOGSA-N	324.449	4.847	50	20	DJGD	
Cc1cccc(C)c1/C=C(/C#N)C(=O)c1ccc2ncccc2c1	794964608	FXIAYVPVCRQCPJ-PDGQHHTCSA-N	312.372	4.642	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cnc(C3CCC3)s2)cc1C	809145699	DDNFVVSWPIZGBY-CXUHLZMHSA-N	322.433	4.817	50	20	DJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2cccc(OCC)c2)cc1	917622764	WRNUMNAPDGGNQT-UYRXBGFRSA-N	319.404	4.828	50	20	DJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1coc2ccccc12	160195478	OIAJSUHNLILUOC-XNTDXEJSSA-N	316.360	4.595	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1ccc(F)c2cccnc12	164645157	GFFSWDUUVNOFLE-UKTHLTGXSA-N	322.364	4.534	50	20	DJGD	
N#C/C(=C/c1ccsc1)C(=O)Nc1ccc(Cl)cc1Cl	213117523	KWZWEATXAGOXLQ-YHYXMXQVSA-N	323.204	4.601	50	20	DJGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1cc(C(F)(F)F)ccc1F	733207194	WFURBQSSQOFLEJ-IZZDOVSWSA-N	313.294	4.757	50	20	DJGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc(-c2c(F)cccc2F)o1	734367930	NJXJDGNNDPNWEF-XFXZXTDPSA-N	315.319	4.747	50	20	DJGD	
C/C(=C/c1ccccc1Cl)C(=O)NNc1cc(C)cc(C)c1	756012542	OUARICQWAPUMDL-KAMYIIQDSA-N	314.816	4.503	50	20	DJGD	
N#C/C=C(/c1ccc(F)cc1)N1CCC(c2ccsc2)CC1	776882644	PGIMYJNEJHREOX-DVZOWYKESA-N	312.413	4.631	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C\c2ccc3cnccc3c2)n1	780005104	SKWJLDYQNTWLOM-PXNMLYILSA-N	305.406	4.879	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1c(OC)ccc2ccccc12	794875750	YTBCUJMPNZEQDT-NTCAYCPXSA-N	307.393	4.761	50	20	DJGD	
N#C/C(=C\c1cccs1)c1nc2ccccc2n1C(F)F	23702063	VRMKVWUCEHXJDU-CSKARUKUSA-N	301.321	4.557	50	20	DJGD	
O=C(CCC1CCCCC1)NNc1ccccc1C(F)(F)F	301218717	SCFMTGXORNABOW-UHFFFAOYSA-N	314.351	4.509	50	20	DJGD	
CCc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)s1	731156483	GGNGFVCMRFWIEG-YRNVUSSQSA-N	324.380	4.721	50	20	DJGD	
N#C/C(=C/c1ccc(F)c(Cl)c1)C(=O)c1c[nH]c2ccccc12	755404404	MKOSIKAPXRRKJT-GHXNOFRVSA-N	324.742	4.750	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C/C=C\c3ccc(F)cc3F)[nH]c12	758061895	FEZSUIMZOMGJQJ-RGWZVXDZSA-N	321.330	4.770	50	20	DJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cc(Cl)cc(C(F)(F)F)c1	780153718	RUFVLLABVDZUAI-SYUPGTOSSA-N	315.722	4.881	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cccc(Cl)c1OCC	782343800	XQQFWKRWXRJTOD-HLVNSREUSA-N	305.805	4.651	50	20	DJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2cccc(F)c2F)s1	797397964	COVABWYSCPGTEG-YRNVUSSQSA-N	304.365	4.783	50	20	DJGD	
COc1ccccc1/C=C(\C#N)c1nc2cc(F)ccc2s1	730150018	FVBZLEHQNXKLQS-XYOKQWHBSA-N	310.353	4.508	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc(C)c(C)cc1OC(F)F	742350061	ZOHLSQDUAZDQCM-OQLLNIDSSA-N	321.367	4.817	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(C(F)(F)F)s1	761481101	VPFWJHNEUODRDM-SBMLRHLQSA-N	301.333	4.679	50	20	DJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccc(Cl)cc2F)cc1F	773148046	ANKIQWSOWKBAMX-SDQBBNPISA-N	317.722	4.717	50	20	DJGD	
N#C/C(=C\c1ccsc1Cl)C(=O)c1ccc2ncccc2c1	794881536	DAGHCSGROQSBRO-NTEUORMPSA-N	324.792	4.740	50	20	DJGD	
COc1ccc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)cc1F	797399541	TYWZVKYFNHLWEW-KPKJPENVSA-N	316.401	4.652	50	20	DJGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccc(Cl)cc1	49073242	UXAMJUOMGOKVOH-ZDUSSCGKSA-N	315.891	4.993	50	20	DJGD	
N#C/C(=C/c1ccccc1F)C(=O)c1c[nH]c2cc(Cl)ccc12	206972397	NINWGSMPBZWQSN-GHXNOFRVSA-N	324.742	4.750	50	20	DJGD	
N#C/C(=C/c1csc(Br)c1)C(=O)C1CCCCC1	767713980	NTIJHDOJHLGYSU-SDQBBNPISA-N	324.243	4.567	50	20	DJGD	
Cc1cc(/C(C#N)=C/c2cc3cc(F)ccc3o2)ccc1[N+](=O)[O-]	774557339	DKBFWEUYCJWEFM-NTEUORMPSA-N	322.295	4.853	50	20	DJGD	
CCCN(N=C(C)CCc1ccc(F)cc1)C(=O)OC(C)(C)C	794992593	FAYBSCYJKGEYHK-UHFFFAOYSA-N	322.424	4.781	50	20	DJGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1csc2ccccc12	810197832	XPFDCRQGKJKHBH-GSWOYPRGSA-N	324.449	4.503	50	20	DJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccc(OC(C)C)cc1	1317851168	ODMMNJUBFHVGQZ-ATVHPVEESA-N	305.377	4.572	50	20	DJGD	
CC(C)COc1ccccc1/C=C(/C#N)c1nc2ccccc2[nH]1	33483828	GBRUWQXPAHIDSS-WJDWOHSUSA-N	317.392	4.662	50	20	DJGD	
N#C/C(=C/c1ccccc1OC1CCCC1)C(=O)c1ccsc1	63278649	DDSWBNOHNJLOBV-WJDWOHSUSA-N	323.417	4.859	50	20	DJGD	
N#C/C(=C/c1cccc2ccccc12)c1cnc2ccccc2n1	588580129	BKOQAGDMEGTSSS-ATVHPVEESA-N	307.356	4.847	50	20	DJGD	
CCc1cccc2c(/C=C(/C#N)c3cnc4ccccc4n3)c[nH]c12	588580218	CRYWQXPAYXJHQX-GDNBJRDFSA-N	324.387	4.738	50	20	DJGD	
C=CC[C@@H](C)C(C)=NNC(=O)c1cc2c(s1)CCCCCC2	727777955	VLCQQIAUPZCVLF-CYBMUJFWSA-N	318.486	4.725	50	20	DJGD	
Cc1cc(C)c(NNC(=O)c2cc(Cl)ccc2Cl)c(C)c1	743763397	IKEHMFSLQJDBSF-UHFFFAOYSA-N	323.223	4.676	50	20	DJGD	
N#C/C(=C\c1cscc1Cl)C(=O)c1c[nH]c2ccccc12	771840339	JWQCVTUUQWXNHP-BJMVGYQFSA-N	312.781	4.673	50	20	DJGD	
N#C/C(=C/c1cc2ccccc2o1)C(=O)Nc1ccc(Cl)cc1	810194975	RPGXDQQQIMKZNU-RAXLEYEMSA-N	322.751	4.632	50	20	DJGD	
CC[C@@H](CC(F)(F)F)NCc1ccc(OCCCCl)cc1	811489328	APKLKXXSDKBNBP-ZDUSSCGKSA-N	323.786	4.515	50	20	DJGD	
O=C(NN=C1CCCC12CCCC2)c1ccc2ccccc2c1	814810579	QXIUAMUCMZQRTG-UHFFFAOYSA-N	306.409	4.670	50	20	DJGD	
CC(C)n1cc(/C=C(\C#N)C(=O)c2ccc(C(C)(C)C)cc2)cn1	171981687	BHSXOUZQJADVQN-LICLKQGHSA-N	321.424	4.551	50	20	DJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc3ccccc3c2)cc1	212119666	UIJJMJAJORWVBV-UYRXBGFRSA-N	312.372	4.694	50	20	DJGD	
CC(C)c1ccc([C@H](C)CC(=O)NNc2ccc(F)cc2)cc1	737789423	VWDJZBPTNMCOQW-CQSZACIVSA-N	314.404	4.586	50	20	DJGD	
N#C/C(=C/c1ccccc1C1CC1)C(=O)Nc1ccccc1Cl	750818314	SLPBULBUCMXBIO-PTNGSMBKSA-N	322.795	4.763	50	20	DJGD	
Cc1ccc(F)cc1/C=C(\C#N)c1nc2cc(F)ccc2s1	777872354	RCYLQEFJGIYWQD-WUXMJOGZSA-N	312.344	4.947	50	20	DJGD	
CCOc1ccc(/C=C(\C#N)c2nc(C(C)C)cs2)cc1F	780004146	GIRREJBWFFYRMH-NTUHNPAUSA-N	316.401	4.868	50	20	DJGD	
CCN(C(=O)CCCC[C@H]1CCSS1)c1ccccc1	914758519	WOCCDIFLXVCVKB-HNNXBMFYSA-N	309.500	4.754	50	20	DJGD	
Cc1cc(C)c(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1C	7159225	RACVQCLBUCXBPY-MHWRWJLKSA-N	324.811	4.811	50	20	DJGD	
CC1(CNc2cccc(S(F)(F)(F)(F)F)c2)COC1	690228147	FXMPXMQPNSNVFJ-UHFFFAOYSA-N	303.296	4.792	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cc(Cl)ccc1F	753683100	MJFKWNWGXKIBJI-WDZFZDKYSA-N	305.761	4.639	50	20	DJGD	
N#C/C(=C/c1cc(F)ccc1F)C(=O)c1ccc(F)c(Cl)c1	773160204	MDAQKPZZWIINFK-WZUFQYTHSA-N	321.685	4.547	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(C(F)(F)F)s1	794873357	DIIFZORPFFNSSV-CLFYSBASSA-N	301.333	4.679	50	20	DJGD	
C/C(N)=C(/C#N)c1nc(-c2sc3ccccc3c2C)cs1	798227279	AYUUTMMBDDJIAW-ZRDIBKRKSA-N	311.435	4.547	50	20	DJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)o1	55040385	JCNQIDQBLLDJLH-WDZFZDKYSA-N	310.740	4.513	50	20	DJGD	
N#C/C(=C/c1ccc(O)c(Cl)c1)C(=O)c1cc2ccccc2o1	120848797	GNPIAFZPJZSCEV-QPEQYQDCSA-N	323.735	4.582	50	20	DJGD	
COc1ccc2oc(/C=C(/C#N)C(=O)c3sccc3C)cc2c1	160214108	QTWCDHSKYQOLSZ-LCYFTJDESA-N	323.373	4.601	50	20	DJGD	
N#C/C(=C\c1sccc1Cl)C(=O)c1ccc(Cl)s1	195228903	JODACSHZMZFRGG-FNORWQNLSA-N	314.218	4.906	50	20	DJGD	
N#C/C(=C\c1cc2ccccc2s1)c1nc2ccccc2[nH]1	255141959	WIITUURMRJLGGJ-JLHYYAGUSA-N	301.374	4.842	50	20	DJGD	
CC(CCC(C)C)=NNC(=O)c1c(Cl)cccc1Cl	727781630	TVECZRYBQHSRLI-UHFFFAOYSA-N	301.217	4.535	50	20	DJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccccc2C)ccc1SC	1318165238	DKLNGNFKDIGXLR-XNTDXEJSSA-N	323.417	4.515	50	20	DJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)c1c[nH]c2cc(Cl)ccc12	59270123	HROJQRDRVIWCFL-KPKJPENVSA-N	324.742	4.750	50	20	DJGD	
Cc1csc(/C(C#N)=C/c2cc(C(F)(F)F)ccc2F)n1	172069481	MNHNBQGGZVMBFT-ONNFQVAWSA-N	312.291	4.674	50	20	DJGD	
CC(/C=C(/C#N)C(=O)c1c[nH]c2ccccc12)=C\c1ccccc1	212840211	CHZOZLSMILRDGP-GLDUUKHASA-N	312.372	4.904	50	20	DJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc(F)c(F)c1	302686540	ILXPZTZLWBJMOE-LLVKDONJSA-N	317.426	4.617	50	20	DJGD	
Cc1ccnc2[nH]c(/C(C#N)=C\c3ccc(CC(C)C)cc3)nc12	755703542	DKPZPMLDFHZMFQ-BOPFTXTBSA-N	316.408	4.529	50	20	DJGD	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2)s1)c1ccncn1	758917064	VQJNCGBMKFKZDX-UKTHLTGXSA-N	323.808	4.923	50	20	DJGD	
COc1ccc(/C=C(/C#N)c2nc(C3CC3)cs2)c(Cl)c1	843265691	ONUDPEJCNOTROS-SDQBBNPISA-N	316.813	4.747	50	20	DJGD	
C[C@@H](Nc1ccc(NC(=O)CCl)cc1Cl)c1ccccc1	1319683030	UTOMQQDCSADNOB-LLVKDONJSA-N	323.223	4.690	50	20	DJGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)o1	11297702	YWTSKLCSCUGHJR-DBWOGOFASA-N	311.768	4.846	50	20	DJGD	
Cn1cccc1/C=C(C#N)/C(O)=N/c1c(Cl)cccc1Cl	28941681	XXPDETBUZMHNCA-CSKARUKUSA-N	320.179	4.527	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C\c2ccc(O)c(Cl)c2)n1	83015690	YUVYQSQXEICBRV-WZUFQYTHSA-N	304.802	4.690	50	20	DJGD	
N#C/C(=C\c1cc2ccccc2s1)C(=O)Nc1ccccc1F	123340848	HAAISUNKZNVWIJ-JLHYYAGUSA-N	322.364	4.586	50	20	DJGD	
N#C/C(=C/c1ccccc1Cl)C(=O)c1c[nH]c2ccccc12	207893536	DHSHHWMKKODHEK-LCYFTJDESA-N	306.752	4.611	50	20	DJGD	
N#C/C(=C/c1ccc(-c2ccccc2F)o1)C(=O)c1ccccc1	211427041	YWESOQSKHRUFCO-QINSGFPZSA-N	317.319	4.876	50	20	DJGD	
Cc1cccc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)c1C	731157333	VPRVORFEOXYXNE-GZTJUZNOSA-N	314.388	4.883	50	20	DJGD	
N#C/C(=C\c1ccc(F)c(C(F)(F)F)c1)C(=O)C1CCCC1	781555908	RPVVWGDRPYEFDY-KPKJPENVSA-N	311.278	4.511	50	20	DJGD	
Cc1cc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)cc(C)c1O	797398756	KLHPSYNSTIAVII-RIYZIHGNSA-N	312.438	4.827	50	20	DJGD	
N#C/C(=C/c1csc2ccccc12)C(=O)c1ccc(F)cc1	810208800	GDWOHSPWDCMDPB-LCYFTJDESA-N	307.349	4.830	50	20	DJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2ccnc(Cl)c2F)s1	834441849	XLTJVVKKOXKYRE-POHAHGRESA-N	321.808	4.692	50	20	DJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)[C@@H]1C[C@H]1F	1527986292	OJEPMNNTGIREEM-RKDXNWHRSA-N	305.243	4.641	50	20	DJGD	
N#C/C(=C\c1csc(-c2cccs2)n1)C(=O)c1ccccc1	209743654	RQCUAVNOBFIPEG-UKTHLTGXSA-N	322.414	4.661	50	20	DJGD	
C[C@@H]1C[C@H](Nc2cccc(S(F)(F)(F)(F)F)c2)CO1	690186620	JMHBOMCSMFQQRW-SCZZXKLOSA-N	303.296	4.933	50	20	DJGD	
CCCCC1CCC(C(=O)/C(C#N)=C\c2c(C)noc2C)CC1	741469771	MUKOTPXGVBVHJR-BOPFTXTBSA-N	314.429	4.764	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc2cc(OC)ccc2c1	741470579	RUIAQCJARAJVKL-JVVDOCDTSA-N	307.393	4.761	50	20	DJGD	
Cc1ccnc2[nH]c(/C(C#N)=C/c3cc4ccccc4s3)nc12	758433286	HAZLDVLUJHNBED-UKTHLTGXSA-N	316.389	4.545	50	20	DJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2cc(F)ccc2F)s1	797405690	FFQPGMZXURILHY-WDZFZDKYSA-N	304.365	4.783	50	20	DJGD	
CC(C)(NCc1ccc(OCCCCl)cc1)c1cccs1	811480007	PVUBZOIAHDFIPE-UHFFFAOYSA-N	323.889	4.781	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(Br)cc1F	741471343	ZHBKTHPBJRVSNA-QVIVLVACSA-N	324.193	4.500	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccccc1OC1CCCC1	741473583	JHNPOHNIJITOKO-XOAFGZPJSA-N	311.425	4.920	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1ccc(Cl)nc1Cl	761474968	AWQHRAVFLYKAAB-UXBLZVDNSA-N	323.204	4.548	50	20	DJGD	
N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)C(=O)C1CCCC1	781554367	NLYDDTSPBPOFJD-PTNGSMBKSA-N	309.340	4.752	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccsc1C(F)(F)F	863184612	NMCMKJZTEHPYBV-XFFZJAGNSA-N	301.333	4.679	50	20	DJGD	
N#C/C(=C\c1cc(Cl)cs1)c1nc(-c2ccccc2)no1	779799524	SUYADCNHIOQJOR-IZZDOVSWSA-N	313.769	4.516	50	20	DJGD	
COCCCC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	186085310	JXFWXTVNSQDPSW-UHFFFAOYSA-N	319.295	4.709	50	20	DJGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1csc(-c2ccsc2)n1	299139571	ROVGUZCCZAIXDJ-WUXMJOGZSA-N	316.451	4.784	50	20	DJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3ccc(C)c(F)c3)c[nH]c2c1	731489790	MNKPOSSYCUECFD-OVCLIPMQSA-N	318.351	4.714	50	20	DJGD	
CC(C)[C@H]1CCCCN1C(=O)CCCC[C@H]1CCSS1	735285906	XRSRYCKZKUDKMG-LSDHHAIUSA-N	315.548	4.738	50	20	DJGD	
N#C/C(=C/c1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1F	773149737	KCYHGFBFPABUJG-XFFZJAGNSA-N	320.150	4.922	50	20	DJGD	
N#C/C(=C\c1cccc(C#N)c1)C(=O)c1cc2ccccc2s1	788330403	HWOIIPUNZAYUIJ-CXUHLZMHSA-N	314.369	4.563	50	20	DJGD	
N#C/C(=C\c1cscc1C(F)(F)F)C(=O)c1ccsc1	811627750	GHFYNFUFOLIAPJ-YCRREMRBSA-N	313.325	4.618	50	20	DJGD	
CSc1ccc(/C=C(/C#N)c2nc(-c3ccccc3)no2)cc1	916131853	OOEQMXUEPIGIGF-PTNGSMBKSA-N	319.389	4.523	50	20	DJGD	
Cc1cc(F)ccc1/C=C(/C#N)c1nc2cc(F)ccc2s1	730149667	DRBHQCKNDQTOBU-GHXNOFRVSA-N	312.344	4.947	50	20	DJGD	
CC(C)[C@H]1CCCCN1C(=O)CCCC[C@@H]1CCSS1	735285905	XRSRYCKZKUDKMG-HUUCEWRRSA-N	315.548	4.738	50	20	DJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3cc(F)ccc3C)c[nH]c2c1	777870633	FTMKGZUTQLAZRW-NVNXTCNLSA-N	318.351	4.714	50	20	DJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3cc(F)ccc3C)n2)cc1	777872422	UMNRPLFBHNOWQZ-CXUHLZMHSA-N	319.339	4.557	50	20	DJGD	
CCC(C)(C)C1CCC(=NNC(=O)c2ccccc2C)CC1	5916533	ZEMOEZICMLIDMT-UHFFFAOYSA-N	300.446	4.707	50	20	DJGD	
N#C/C(=C\c1cc2ccccc2o1)C(=O)c1cccc(Cl)c1	11297738	BBELSNWHVSAZDG-GXDHUFHOSA-N	307.736	4.876	50	20	DJGD	
COc1ccccc1-c1ccc(/C=C(/C#N)c2ccccn2)cc1	125219535	ACVXLTJXEFRQMV-JXAWBTAJSA-N	312.372	4.821	50	20	DJGD	
Cc1ccccc1CN(C)C(=O)CCCC[C@@H]1CCSS1	248166283	RMSZIOKQVADPRJ-MRXNPFEDSA-N	323.527	4.668	50	20	DJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2cc(F)c(F)c(F)c2)c1	727975440	UOAMSLHGZQNVIQ-MKMNVTDBSA-N	315.294	4.511	50	20	DJGD	
Cc1cc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)ccc1F	783686830	ALQCXQRGCVZLSG-XFFZJAGNSA-N	305.761	4.639	50	20	DJGD	
CCCCCCCCC[C@@H](C)CC(=O)N1CC=C(C#N)CC1	787484122	XLFXFTXXMSZQJH-QGZVFWFLSA-N	304.478	4.836	50	20	DJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2ccc(Cl)nc2)s1	797406664	ILWWUDODZHFVJB-IZZDOVSWSA-N	303.818	4.553	50	20	DJGD	
CC(C)(F)C(=O)/C(C#N)=C/c1ccc(SC(F)(F)F)cc1	834446927	GTXZTQFNZNYZIQ-JXMROGBWSA-N	317.307	4.523	50	20	DJGD	
C[C@@H](O)CCN(C)Cc1cccc(S(F)(F)(F)(F)F)c1	892064835	DOLQBPDXXUSZAR-SNVBAGLBSA-N	319.339	4.547	50	20	DJGD	
N#C/C(=C\c1cccs1)C(=O)Nc1cc(Cl)cc(Cl)c1	6209991	YINKZZSMXCTPHN-RUDMXATFSA-N	323.204	4.601	50	20	DJGD	
CC[C@H](Nc1cccc(S(F)(F)(F)(F)F)c1)C(=O)OC	185559894	ISCQJXHEEBUJSW-JTQLQIEISA-N	319.295	4.708	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(OC)c2ccccc12	726117596	AKRFRIDUJLZBBR-FOWTUZBSSA-N	307.393	4.761	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(F)cc1Br	767729248	ODCAHIFUFBLLBA-CEXMDJMXSA-N	324.193	4.500	50	20	DJGD	
N#C/C(=C\c1cscc1Cl)C(=O)Nc1ccccc1Cl	771843059	XNOYVUJXGHHLIM-WEVVVXLNSA-N	323.204	4.601	50	20	DJGD	
N#C/C(=C/c1ccc2occc2c1)c1nc(-c2ccccc2)no1	794685456	HFFOTFOUKCQCIU-WJDWOHSUSA-N	313.316	4.547	50	20	DJGD	
CCc1cccc(C)c1NNC(=O)c1cccc(C2CCC2)c1	799757463	XTZWKQKQXUWNEB-UHFFFAOYSA-N	308.425	4.582	50	20	DJGD	
CC(=C/c1ccccc1OC(F)F)/C=C(\C#N)C(=O)C(C)(C)C	811685366	PYDUJPINHIKUFJ-SPEXVAAVSA-N	319.351	4.756	50	20	DJGD	
Cc1ccc(C(=O)NNc2ccc(C(C)C)cc2)c(Cl)c1C	837053788	WHURTEXIMAAULR-UHFFFAOYSA-N	316.832	4.837	50	20	DJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc([C@@H]3C[C@@H]3C)o2)c1C	8117434	ORCKMQWUDYLYGM-QAZQYGAVSA-N	320.392	4.566	50	20	DJGD	
CC(C)(C)c1ccc(/C=C(\C#N)C(=O)c2ccccc2F)cc1	11333770	XUQZDLJAPJFKKZ-NTCAYCPXSA-N	307.368	4.913	50	20	DJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)[C@@H]1CC1(F)F	297980464	QOKXEPNBOBCDGY-QMMMGPOBSA-N	323.233	4.938	50	20	DJGD	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(-c2c(F)cccc2F)o1	734366180	HIUICHAORCYLNF-PKNBQFBNSA-N	315.319	4.747	50	20	DJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccccc1C1CC1	750817045	BJPCVAFDLJBOLZ-PDGQHHTCSA-N	316.404	4.727	50	20	DJGD	
COc1ccsc1/C=C(/C#N)c1nc2cc(F)ccc2s1	764417866	PJCRZZJZNUOEOD-TWGQIWQCSA-N	316.382	4.570	50	20	DJGD	
N#C/C(=C/c1ccc2occc2c1)C(=O)c1ccc(Cl)s1	794690782	JWJUTBRTOMJKSL-WQLSENKSSA-N	313.765	4.938	50	20	DJGD	
CCN(CC)c1ccc(/C=C(/C#N)c2nc(C3CC3)cs2)cc1	864095826	FYLCFILUZVVMOA-WJDWOHSUSA-N	323.465	4.931	50	20	DJGD	
Cc1cc(C)c(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)c(C)c1	7747384	ZPDGADORFPFACB-WOJGMQOQSA-N	318.420	4.774	50	20	DJGD	
Cc1nc(/C(C#N)=C\c2cccc(Br)c2)sc1C	125426803	WJDPASFCETWZSY-SDQBBNPISA-N	319.227	4.587	50	20	DJGD	
CC1CCC(N(C)C(=O)CCCC[C@H]2CCSS2)CC1	302944593	KUTZZMSWJJQUPZ-NRXISQOPSA-N	315.548	4.738	50	20	DJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cs2)c(C)c1	588600857	SFXDYJMFWLIYMX-WUXMJOGZSA-N	316.813	4.564	50	20	DJGD	
CCCCCCCC(C)=NNC(=O)c1ccc(O)c(Cl)c1	734093401	DVFYEWXHUJVYED-UHFFFAOYSA-N	310.825	4.512	50	20	DJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3cc(F)cc(F)c3)c[nH]c2c1	755407006	PPCOMJVSYKIPBK-ACAGNQJTSA-N	322.314	4.544	50	20	DJGD	
N#C/C(=C\c1csc(Cl)c1Cl)C(=O)c1ccsc1	761384991	JVHIMBWRRFXPIG-FPYGCLRLSA-N	314.218	4.906	50	20	DJGD	
Cc1cc(/C=C(/C#N)C(=O)c2c(Cl)cccc2Cl)c(C)o1	767886792	LQKKZTFZURQWJZ-GHXNOFRVSA-N	320.175	4.993	50	20	DJGD	
CCSc1cccc(/C=C(\C#N)C(=O)c2ccc(C)s2)c1	769726122	OVYPIKXPSAZWMT-NTEUORMPSA-N	313.447	4.958	50	20	DJGD	
CC(=C\c1ccccc1)/C=C(\C#N)C(=O)c1ccc2ncccc2c1	794964385	BNIHPQATADVFNI-GEEUODSKSA-N	324.383	4.971	50	20	DJGD	
Cc1csc(/C(C#N)=C/c2cscc2C(F)(F)F)n1	811626890	PGMHNOYCGWXSOU-KRXBUXKQSA-N	300.330	4.596	50	20	DJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc([C@@H]3C[C@H]3C)o2)c(C)c1	8117419	XOJMIBGBVZDHJC-WYRKQZDXSA-N	320.392	4.566	50	20	DJGD	
CC(C)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	181779082	ZRVNTGKZOZZZLH-UHFFFAOYSA-N	304.284	4.874	50	20	DJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2cc(F)ccc2C)c(C)c1	588393690	VWPHLGGHZZVFTG-MFOYZWKCSA-N	322.383	4.605	50	20	DJGD	
COc1ccc(C)cc1/C=C(\C#N)C(=O)c1cc2ccccc2o1	747127838	NESQBADDNPJRGL-MHWRWJLKSA-N	317.344	4.540	50	20	DJGD	
CCOc1c(Cl)cccc1/C=C(/C#N)c1nc2ccccc2[nH]1	779220899	KMQWLIKWWUJINU-RAXLEYEMSA-N	323.783	4.679	50	20	DJGD	
CC[C@H](Cl)c1nc2scc(C3CCCCC3)c2c(=O)[nH]1	43554411	SMORHPCMAFCCPM-NSHDSACASA-N	310.850	4.722	50	20	DJGD	
Cc1ccc([C@H](C)NC(=O)CCCC[C@H]2CCSS2)cc1	105850770	AJGZCRKRAHGRSB-HOCLYGCPSA-N	323.527	4.886	50	20	DJGD	
CC(C)COc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1	730146928	IAXJJNPENIGLLT-GZTJUZNOSA-N	322.364	4.694	50	20	DJGD	
N#C/C(=C\c1cc(F)cc(Cl)c1)C(=O)c1c[nH]c2ccccc12	776722301	QAADUNHBYTXHSX-LFYBBSHMSA-N	324.742	4.750	50	20	DJGD	
CCOc1c(Cl)cccc1/C=C(\C#N)c1nc(C)cs1	779797850	LCWXCZMAFGTNJT-KPKJPENVSA-N	304.802	4.568	50	20	DJGD	
N#C/C(=C/c1ccc(-c2ccc(F)cc2)s1)C(=O)c1ccco1	834729743	KDHKHPNPKYPUIA-RAXLEYEMSA-N	323.348	4.937	50	20	DJGD	
Cc1ccccc1N(C)C(=O)CCCC[C@@H]1CCSS1	857746169	XZOHKTXDLLFFJV-CQSZACIVSA-N	309.500	4.672	50	20	DJGD	
Cc1ccsc1/C=C(\C#N)c1nc(-c2ccncc2)cs1	98125476	PLCXOXKSAXDZRC-MDWZMJQESA-N	309.419	4.639	50	20	DJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(SC(F)(F)F)cc1	726428461	MKAJDIVOYIOBGB-UVIKPUKZSA-N	313.344	4.821	50	20	DJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(-c2cccc(F)c2F)o1	790099330	FDLMOBGKMQYMLO-ZGSOTFDTSA-N	315.319	4.747	50	20	DJGD	
CCc1cccc(Cl)c1/C=C(/C#N)c1cnc2ccccc2n1	790228709	XZRYRLRIDGQFNT-UVTDQMKNSA-N	319.795	4.910	50	20	DJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc3occc3c2)c1C	794684375	ACPKFEZCCHLEMU-BOPFTXTBSA-N	316.360	4.595	50	20	DJGD	
N#C/C(=C/C=C\c1ccccc1)C(=O)c1ccc2ncccc2c1	794965008	NGCSMDRWDOTDOU-VJGJLOMYSA-N	310.356	4.581	50	20	DJGD	
Cc1ccc(NC(=O)CCCC[C@H]2CCSS2)cc1C	61468829	QUKVWYOIEGVJPC-HNNXBMFYSA-N	309.500	4.956	50	20	DJGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccc(-c2ccccc2)o1	125808696	ZAVIUCSRMUOEDF-RVDMUPIBSA-N	303.317	4.638	50	20	DJGD	
O=C(NN=C1CC[C@H]2CCCC[C@@H]2C1)c1cccc2ccccc12	741462585	KNKPVQOMLZZYOJ-NVXWUHKLSA-N	320.436	4.916	50	20	DJGD	
N#C/C(=C/c1ccc(C(F)(F)F)cc1)C(=O)C1CCCCC1	767713794	MHWXZRXIZLDILS-UVTDQMKNSA-N	307.315	4.762	50	20	DJGD	
CC(=C\c1ccccc1)/C=C(\C#N)C(=O)c1cc(F)cc(F)c1	773169398	BCYMQXKQROECPX-ZHSNXSORSA-N	309.315	4.701	50	20	DJGD	
N#C/C(=C/c1cccc(Cl)c1Cl)C(=O)c1ccccc1F	212673707	QFJBVECAFLALOJ-FLIBITNWSA-N	320.150	4.922	50	20	DJGD	
CCn1c(C)cc(/C=C(/C#N)C(=O)c2cccc(C)c2C)c1C	728286784	GRHBQAMCOGFDNM-WQRHYEAKSA-N	306.409	4.532	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(Br)c(C)c1	746393952	MYIJCYVVDUTUNY-ZECSTPGPSA-N	320.230	4.670	50	20	DJGD	
N#C/C(=C\c1cc(F)c(F)cc1F)c1ccc2ccccc2n1	767722689	SAYFBRZDDANQBY-NTUHNPAUSA-N	310.278	4.716	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/C=C\c2ccc(F)c(F)c2)cc1	794712833	PAKIRSGNAKIINO-YBVLIEQXSA-N	309.315	4.619	50	20	DJGD	
Cc1ccc(C)c(/C=C(\C#N)C(=O)c2ccc3ncccc3c2)c1	794884010	GBSGSQMHNIVNJU-XDHOZWIPSA-N	312.372	4.642	50	20	DJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2c(F)cccc2F)s1	797398329	GKUMJEADIYGODW-YFHOEESVSA-N	304.365	4.783	50	20	DJGD	
C=C(B1OC(C)(C)C(C)(C)O1)[C@@H](C)O[Si](C)(C)C(C)(C)C	2090611652	KOWXKAKWXZNOPI-CYBMUJFWSA-N	312.335	4.584	50	20	DJGD	
COc1cccc(C(=O)/C(C#N)=C/c2cccc3ccccc23)c1	6284514	ZRKFQGZCQASJHI-LDADJPATSA-N	313.356	4.638	50	20	DJGD	
N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)c1ccc(F)cc1	7350268	QRLKIEORIXUGRD-DHZHZOJOSA-N	320.150	4.922	50	20	DJGD	
Cc1csc(/C(C#N)=C/c2cccc(OC3CCCC3)c2)n1	55038430	YKYAETQHQVHOPA-OQLLNIDSSA-N	310.422	4.837	50	20	DJGD	
N#C/C(=C/c1cc(F)ccc1F)c1nc2cc(F)ccc2s1	730148857	NTXWIVUYYJWXGD-YHYXMXQVSA-N	316.307	4.778	50	20	DJGD	
Cc1cc(Cl)ccc1/C=C(/C#N)c1nc(-c2ccccc2)no1	767352372	SEPGPOBPEJATOV-GDNBJRDFSA-N	321.767	4.763	50	20	DJGD	
Cc1cccc(/C=C(/C#N)C(=O)c2ccc(Cl)cc2F)c1C	773150164	LWAGLJQWKHOCCC-ZSOIEALJSA-N	313.759	4.886	50	20	DJGD	
CC(C)C(=O)/C(C#N)=C/c1c(OC(F)F)ccc2ccccc12	915991987	QAXPHGDYKCAQLD-UKTHLTGXSA-N	315.319	4.573	50	20	DJGD	
C[C@@H](c1ccc(Cl)cc1)N(C(=O)CCl)c1ccccc1	1341523711	HKRIMNAEEGDJQE-LBPRGKRZSA-N	308.208	4.673	50	20	DJGD	
N#C/C(=C/c1cccs1)C(=O)c1cccc(C(F)(F)F)c1	33384553	FVGUWYNLUBTLAW-FLIBITNWSA-N	307.296	4.557	50	20	DJGD	
Cn1nccc1CNc1cccc(S(F)(F)(F)(F)F)c1	186153344	IVWIZHDEQZUMMD-UHFFFAOYSA-N	313.295	4.690	50	20	DJGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(SC(F)(F)F)cc1	209224512	NPOCSDISZFPNQV-FLIBITNWSA-N	313.344	4.821	50	20	DJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2sccc2Cl)c1C	779751082	FUYJDJVWLJRLFO-WQLSENKSSA-N	316.813	4.564	50	20	DJGD	
CC(C)(C)[C@H]1CCN(C(=O)CCCC[C@H]2CCSS2)C1	784764459	ZYQPXMKRMTXKAO-KBPBESRZSA-N	315.548	4.595	50	20	DJGD	
N#C/C(=C/c1ccc2occc2c1)C(=O)c1c[nH]c2ccccc12	794688075	WEBRLFHCSVDSIS-GDNBJRDFSA-N	312.328	4.704	50	20	DJGD	
CC(/C=C(/C#N)C(=O)Nc1c(C)cccc1C)=C\c1ccccc1	915843768	ZDQRZLXSNICVAL-JGEPBQDUSA-N	316.404	4.795	50	20	DJGD	
Clc1ccccc1CO[C@H]1CCCC[C@@H]1Br	50502802	OHFOYZITSJFRRK-AAEUAGOBSA-N	303.627	4.563	50	20	DJGD	
Cc1cc(/C=C(/C#N)c2ccccn2)ccc1Oc1cccnc1	112224166	OBAFPJZVSLJQOG-ATVHPVEESA-N	313.360	4.642	50	20	DJGD	
N#C/C(=C/C=C/c1ccc(F)cc1)c1ccc2ccccc2n1	747694745	DMJKKJGXTLJZBJ-WRKVGAQNSA-N	300.336	4.994	50	20	DJGD	
Cc1ccc(OC(F)F)c(/C=C(/C#N)c2nc(C)c(C)s2)c1	756789593	YVKWGFLQYNYGBZ-QPEQYQDCSA-N	320.364	4.734	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(C(F)(F)F)s1	761481098	VPFWJHNEUODRDM-CBFJXKFUSA-N	301.333	4.679	50	20	DJGD	
Cc1ccc(F)cc1/C=C(/C#N)C(=O)c1c[nH]c2cc(F)ccc12	777872553	WOIMDRQHKNNZJA-MLPAPPSSSA-N	322.314	4.544	50	20	DJGD	
N#C/C(=C\c1ccccc1C1CC1)C(=O)c1ccc2ncccc2c1	794883956	FOFZYGFUMVAZHZ-XDHOZWIPSA-N	324.383	4.902	50	20	DJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccc3ncccc3c2)c(C)c1	794884662	KKSLASKVFOBBGK-YBFXNURJSA-N	312.372	4.642	50	20	DJGD	
CC(C)(C)c1cnc(/C(C#N)=C\C2=Cc3ccccc3OC2)s1	797407894	ZEBOEMMUABSZPU-DHDCSXOGSA-N	322.433	4.824	50	20	DJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(C)s2)c1C	212097209	LHAHKBWGGUXIOF-GDNBJRDFSA-N	312.438	4.675	50	20	DJGD	
C[C@H]1CC(NC(=O)CCCC[C@H]2CCSS2)C[C@H](C)C1	739809222	GLPMLGRSXLZMLQ-NFAWXSAZSA-N	315.548	4.641	50	20	DJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(-c2ccccc2OC)cc1	741467204	LPRVOPJPOVNOBD-COYFKBPASA-N	319.404	4.884	50	20	DJGD	
Cc1cc(/C(C#N)=C/c2cscc2Cl)ccc1[N+](=O)[O-]	774558006	HUKVMGWIUVCZDK-VZUCSPMQSA-N	304.758	4.682	50	20	DJGD	
Cn1c(/C(C#N)=C/c2ccc3c(c2)CCCC3)nc2ccccc21	792858767	LVLQAADCNUYCIT-QGOAFFKASA-N	313.404	4.516	50	20	DJGD	
COc1cccc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)c1F	799893047	DDXTUWIRRRBLMT-XYOKQWHBSA-N	316.401	4.652	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(N(CC)CC)c(F)c1	741473041	DYSGROXFKNXYMV-VQCBNXJZSA-N	316.420	4.584	50	20	DJGD	
CCCCOc1ccccc1/C=C(/C#N)C(=O)c1ccsc1	767352401	SSIOFRMGUHYCIH-WJDWOHSUSA-N	311.406	4.717	50	20	DJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1Cl	779706975	KAFGQDOFPDUFLB-YBEGLDIGSA-N	324.811	4.811	50	20	DJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(F)ccc23)c(C)c1	915990566	OVLLDNCVGIZNLL-NVNXTCNLSA-N	318.351	4.714	50	20	DJGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccccc1OC1CCCC1	920063979	NPTHYHDUWXABHO-FOWTUZBSSA-N	321.376	4.699	50	20	DJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2cccc(Cl)c2)c(C)c1	6410994	LMONERDWZXNBOM-CXUHLZMHSA-N	324.811	4.811	50	20	DJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2occc2C)cc1	742349521	GIMABKDKWMXGBO-RERGGYADSA-N	308.381	4.647	50	20	DJGD	
CC(C)c1ncc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)s1	758415667	KQQXCJWSNPKTDR-KPKJPENVSA-N	321.405	4.538	50	20	DJGD	
CC(=C/c1ccccc1)/C=C(/C#N)C(=O)c1cc(F)cc(F)c1	773169397	BCYMQXKQROECPX-VQKMWHGBSA-N	309.315	4.701	50	20	DJGD	
Cc1ccc2oc(C(=O)NNc3c(C)cccc3C(C)C)cc2c1	812767632	NLJWPVLMOGZLJN-UHFFFAOYSA-N	322.408	4.930	50	20	DJGD	
CC1(C)Cc2cc(/C=C(/C#N)c3nc(C4CC4)cs3)ccc2O1	843264806	KERHHDLKKMDSDR-NVNXTCNLSA-N	322.433	4.798	50	20	DJGD	
CCc1ccccc1NC(=O)CCCC[C@H]1CCSS1	42184876	BBEDMOBDWXADRX-AWEZNQCLSA-N	309.500	4.902	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C\c3ccc(Cl)c(F)c3)[nH]c12	735618680	DTCSNXMQGOIOMN-GHXNOFRVSA-N	311.747	4.728	50	20	DJGD	
Cc1cc(C)c(C(=O)NNc2cc(Cl)cc(Cl)c2)c(C)c1	791733924	NYVHJIXJBGGHJF-UHFFFAOYSA-N	323.223	4.676	50	20	DJGD	
CCC(CC)[C@H](NC(=O)NNc1ccccc1)c1cccs1	734269708	NDHFKXAFHHLOEP-INIZCTEOSA-N	317.458	4.552	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(F)c3cccnc23)s1	759115873	ADXBXIIJXANFJC-LCYFTJDESA-N	322.364	4.534	50	20	DJGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccc(OCCC(C)C)cc1	916129570	NECZNODZBCAIEJ-ATVHPVEESA-N	323.392	4.803	50	20	DJGD	
Cc1cc(/C=C(/C#N)C(=O)CC(C)(C)C)c(C)n1CC(C)C	918733710	RXIKYPQGKWWBDF-MFOYZWKCSA-N	300.446	4.673	50	20	DJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3c(F)cccc3F)c[nH]c2c1	141796136	YIOPEBYZZAVZRU-WQLSENKSSA-N	322.314	4.544	50	20	DJGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)o1	733780786	SXGKTVHWYLVBOP-XKROAPFSSA-N	316.360	4.674	50	20	DJGD	
Cc1cc(/C(C#N)=C\c2nccc3ccccc23)ccc1[N+](=O)[O-]	774557048	AFNWYKPCEOBJRX-WJDWOHSUSA-N	315.332	4.516	50	20	DJGD	
COCc1cccc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)c1	797399484	SJLUWJJBYZVUHV-OQLLNIDSSA-N	312.438	4.651	50	20	DJGD	
COc1ccc(/C=C(/C#N)C(=O)c2sccc2C)c(Cl)c1	915990333	NAEUTZQNQGVWGZ-GHXNOFRVSA-N	317.797	4.508	50	20	DJGD	
Cc1oc2ccccc2c1/C=C(\C#N)c1nc2ccccc2n1C	179368154	UUPXXXWHELUEIH-SDNWHVSQSA-N	313.360	4.692	50	20	DJGD	
Cc1cc(C)cc(/C=C(\C#N)C(=O)c2ccc(Cl)s2)c1	783686920	BHJXYOXFXBTAOF-MDWZMJQESA-N	301.798	4.808	50	20	DJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccsc2Cl)c1C	790101327	MOSZTLSICYZJON-JYRVWZFOSA-N	316.813	4.564	50	20	DJGD	
N#C/C(=C/c1ccccc1Cl)C(=O)c1ccc2ncccc2c1	794884823	MMWZQBPFPNJDGE-YBEGLDIGSA-N	318.763	4.678	50	20	DJGD	
CCOc1ccccc1/C=C(\C#N)c1cc(C(F)(F)F)ccn1	812246675	RETNKPDCRQNWEH-UKTHLTGXSA-N	318.298	4.563	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C/c2ccc(C(F)(F)F)[nH]2)n1	905075967	ZULFYIDVAXTIJN-WEVVVXLNSA-N	311.332	4.678	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C\c1csc(-c2cccs2)n1	77563938	PLGAUSJTXLXLDN-WQLSENKSSA-N	316.451	4.784	50	20	DJGD	
N#C/C(=C\c1coc2ccccc12)C(=O)Nc1ccccc1Cl	160197119	GDNXGBUEUUOKSH-FMIVXFBMSA-N	322.751	4.632	50	20	DJGD	
C[C@@H](CNC(=O)CCCC[C@H]1CCSS1)c1ccccc1	726185367	SWZCOHFXKVSVPN-HOCLYGCPSA-N	323.527	4.620	50	20	DJGD	
N#C/C(=C\c1cc2cc(F)ccc2o1)c1ccc([N+](=O)[O-])cc1	741840067	FJMAMJFLZFBLEI-UKTHLTGXSA-N	308.268	4.544	50	20	DJGD	
Cc1cccc([C@H](C)C(=O)NNc2cc(Cl)ccc2Cl)c1	752810556	JLNREMOTYLTFEH-NSHDSACASA-N	323.223	4.549	50	20	DJGD	
Cc1cc(/C(C#N)=C/C=C\c2ccc(F)cc2)ccc1[N+](=O)[O-]	774558400	KBOWMAAGOIDBGT-YBVLIEQXSA-N	308.312	4.663	50	20	DJGD	
N#C/C(=C/c1ccc(Cl)cc1F)C(=O)c1c[nH]c2ccccc12	782196999	FEOXQDRDZWZEQA-GHXNOFRVSA-N	324.742	4.750	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccsc1C(F)(F)F	863186189	QSUBSDMJPRXNLU-MKVDPYIPSA-N	301.333	4.679	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C/c2ccc(O)c(Cl)c2)n1	255199178	YUVYQSQXEICBRV-VZUCSPMQSA-N	304.802	4.690	50	20	DJGD	
CCc1cccc2c(/C=C(/C#N)C(=O)c3ccc(C)s3)c[nH]c12	729823140	KGGAZSISOGFTCP-ZROIWOOFSA-N	320.417	4.890	50	20	DJGD	
COc1ccc(Cl)cc1/C=C(/C#N)c1nc(C(C)C)cs1	747440116	PVDLGBDOCJHKNA-SDQBBNPISA-N	318.829	4.993	50	20	DJGD	
Cc1ccnc2[nH]c(/C(C#N)=C\c3ccc(C4CCC4)cc3)nc12	834429902	AAXUKDPHLYIIPA-BOPFTXTBSA-N	314.392	4.598	50	20	DJGD	
CC1(C)Cc2cccc(/C=C(/C#N)c3nc(C4CC4)cs3)c2O1	843263372	BYEAJXFYFUWTMG-NVNXTCNLSA-N	322.433	4.798	50	20	DJGD	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1C	44022610	PXSVOWPZDSMMOB-XNTDXEJSSA-N	310.784	4.503	50	20	DJGD	
C=C(CBr)CN[C@H](C)c1cccc(Cl)c1Cl	381460158	KUHOVANGAKPBFS-SECBINFHSA-N	323.061	4.595	50	20	DJGD	
CC(C)(C)C1CCC(=NNC(=O)c2cccc3ncccc23)CC1	730147575	WWPAABHVKSWAMP-UHFFFAOYSA-N	323.440	4.557	50	20	DJGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)o1	733780784	SXGKTVHWYLVBOP-VRWPGVAASA-N	316.360	4.674	50	20	DJGD	
Cc1cc(F)ccc1-c1ccc(/C=C(/C#N)C(=O)CC(C)C)o1	734304838	XVVKPBYIPBYFBI-UVTDQMKNSA-N	311.356	4.916	50	20	DJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2cc(C)ccc2OC)cc1	747087315	BNDPONPLDGENBN-CPNJWEJPSA-N	319.404	4.746	50	20	DJGD	
Cc1occc1C(=O)/C(C#N)=C\c1cc(Cl)ccc1Cl	753682195	DXBZRUZMVCQRBO-WDZFZDKYSA-N	306.148	4.685	50	20	DJGD	
N#C/C(=C\c1cscc1Br)C(=O)C1CCCCC1	794691435	OLTQJDITHKMZRU-IZZDOVSWSA-N	324.243	4.567	50	20	DJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2ccc(F)cc2F)s1	797397671	AIUSCVOAXUPYKZ-WDZFZDKYSA-N	304.365	4.783	50	20	DJGD	
CC(C)(NC(=O)CCCC[C@H]1CCSS1)c1ccccc1	921167912	JWIJODKLMXECCX-HNNXBMFYSA-N	323.527	4.752	50	20	DJGD	
CC(C)(F)C(=O)/C(C#N)=C\c1ccc(Cl)c(C(F)(F)F)c1	295770569	BSTICCRYMAVIKR-UITAMQMPSA-N	319.685	4.583	50	20	DJGD	
C=CCCC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	726501258	NABFPFVISOPWKB-LBPRGKRZSA-N	323.767	4.811	50	20	DJGD	
CCC[C@H](C=NNC(=O)c1cc2ccccc2o1)c1ccccc1	769585669	OSMZGNYFCVVXOS-QGZVFWFLSA-N	320.392	4.732	50	20	DJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2c(F)cccc2F)s1	797398328	GKUMJEADIYGODW-JXMROGBWSA-N	304.365	4.783	50	20	DJGD	
C=CCOc1ccc(/C=C(\C#N)C(=O)c2ccccc2)cc1Cl	727263468	ARTVKJQEQURTCA-LFIBNONCSA-N	323.779	4.695	50	20	DJGD	
N#C/C(=C/c1cccnc1Cl)c1nc2cc(F)ccc2s1	730149214	VEMVQTQGFRVDAQ-POHAHGRESA-N	315.760	4.548	50	20	DJGD	
COc1ccc(-c2ccccc2)cc1/C=C(\C#N)c1ccccn1	756782389	BHDQYVJVEJSJQY-XMHGGMMESA-N	312.372	4.821	50	20	DJGD	
CCCCOc1ccccc1/C=C(\C#N)C(=O)c1ccccc1F	767351632	GMQWIGLEPAQLTR-DTQAZKPQSA-N	323.367	4.794	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccc2ccccc2c1	915990640	RXQXSTOESIMTCM-BOPFTXTBSA-N	303.386	5.000	50	20	DJGD	
CCCOc1cccc(/C=C(\C#N)C(=O)c2ccccc2C)c1	1317886063	ZSTUHXVSSJQREZ-SFQUDFHCSA-N	305.377	4.574	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1csc(-c2ccsc2)n1	125522744	WPQREKQVNJZJEC-HKMIMPICSA-N	316.451	4.784	50	20	DJGD	
C=C(CBr)CN[C@@H](C)c1ccc(Cl)cc1Cl	309591126	UUDJJJBTALTKRB-VIFPVBQESA-N	323.061	4.595	50	20	DJGD	
CCc1ccc(/C=C(\C#N)C(=O)c2cc3ccccc3o2)s1	731157170	SZEOOIRBZIRTHE-UKTHLTGXSA-N	307.374	4.847	50	20	DJGD	
N#C/C(=C/c1cc2ccccc2s1)C(=O)c1ccccc1F	758419363	VPSICHZWCDHAIU-RAXLEYEMSA-N	307.349	4.830	50	20	DJGD	
N#C/C(=C/c1nc(Cl)cs1)c1nc2cc(F)ccc2s1	759085743	XQAMKZYTFSZQNN-CLTKARDFSA-N	321.789	4.609	50	20	DJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2sccc2Cl)c1	780004205	IDYHDFUHUOLQTQ-JYRVWZFOSA-N	301.798	4.808	50	20	DJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)c1cocn1	792550993	WDAUEBOVIMONEY-UHFFFAOYSA-N	314.235	4.584	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C/C=C\c1ccc(F)c(F)c1	794696848	BNVJWJQCRCHFGC-NWNZELPYSA-N	315.344	4.681	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ncc(C(C)(C)C)s2)cc1C	809160172	INYRJHAAFAKRLK-OQLLNIDSSA-N	324.449	4.847	50	20	DJGD	
O=C(/C=C\c1ccc(OCCCCl)cc1)c1cccs1	811684676	ANTXQGNJKWGFOL-TWGQIWQCSA-N	306.814	4.652	50	20	DJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1cccc(-c2ccccn2)c1	1319366189	BCOPFFOQNJGIOG-XMHGGMMESA-N	324.383	4.847	50	20	DJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)C(C)C)c2C)cc1	71971584	RKAUHVFWHAWRSA-WQRHYEAKSA-N	306.409	4.535	50	20	DJGD	
CC(C)[C@H](C)O[C@@H]1CCCCCC[C@@H]1I	158512700	DDSNMMSCGMZGIS-RWMBFGLXSA-N	324.246	4.574	50	20	DJGD	
COc1ccc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)cc1Cl	741467577	OUEWWWLOJAECNK-JYRVWZFOSA-N	323.783	4.598	50	20	DJGD	
CSc1cc(/C(C#N)=C/c2ccc(-c3ccccc3)o2)ncn1	773176158	KGCIEEOSXMVPHD-NTEUORMPSA-N	319.389	4.523	50	20	DJGD	
CC(C)=CCC/C(C)=C/C=NNC(=O)c1cccc(Cl)c1	916278257	LAPVBLYZEHARKB-YLCOBTLKSA-N	304.821	4.748	50	20	DJGD	
CC[C@H](C)C(C)=NNC(=O)c1ccc(-c2ccc(F)cc2)s1	917029622	MATQGCKPDOHTRX-NSHDSACASA-N	318.417	4.706	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1nc(-c2ccccc2)cs1	125482923	RSBUPBBYCVSCBH-NWFCWYBLSA-N	310.422	4.722	50	20	DJGD	
N#C/C(=C\c1cc(C(F)(F)F)ccc1Cl)c1ccccn1	178863229	TUDSVLVCUZHBAN-YRNVUSSQSA-N	308.690	4.818	50	20	DJGD	
CCCOc1ccc(/C=C(\C#N)C(=O)c2ccc(C)s2)cc1	729819994	IZYYNODGVPBRLY-RVDMUPIBSA-N	311.406	4.635	50	20	DJGD	
Cc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)c2cccc(C)c2)cc1	737339629	SOWYDBBQPQXSLY-JJBLJPBOSA-N	305.377	4.515	50	20	DJGD	
Cc1cc(/C(C#N)=C/c2ccccc2OC(C)C)ccc1[N+](=O)[O-]	774559836	SVIJKBXRAJWENB-GZTJUZNOSA-N	322.364	4.755	50	20	DJGD	
CC(C)(F)C(=O)/C(C#N)=C\c1cc(Cl)cc(C(F)(F)F)c1	834448348	YTAHZUSHFYMWAD-OQFOIZHKSA-N	319.685	4.583	50	20	DJGD	
C[C@H](C#N)CNCc1cccc(S(F)(F)(F)(F)F)c1	893544856	OQYXGNYFKSJJLK-SECBINFHSA-N	300.296	4.593	50	20	DJGD	
N#C/C(=C\c1ccccc1)C(=O)c1cc(Cl)cc(Cl)c1	921138335	FPKTXUHITYUJOU-AWNIVKPZSA-N	302.160	4.783	50	20	DJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cc2ccc(C)cc2nc1Cl	1318174028	QOUDRFQVLRLPRH-KMHUVPDISA-N	312.800	4.719	50	20	DJGD	
N#C/C(=C\c1ccc(F)c(Cl)c1)C(=O)c1c[nH]c2ccccc12	755404432	MKOSIKAPXRRKJT-KPKJPENVSA-N	324.742	4.750	50	20	DJGD	
N#Cc1ccc2c(c1)CC/C(=C\c1cccc(CCl)c1)C2=O	799891536	GASUMZFSEGDZGM-RQZCQDPDSA-N	307.780	4.510	50	20	DJGD	
CC[C@H](C)c1ccc([C@H](NC(=O)CCl)c2cccs2)cc1	1116437707	NTOCHXNRNLEOBO-SJCJKPOMSA-N	321.873	4.706	50	20	DJGD	
CC(C)CCOc1ccc(C(=O)NN=C2CCCCCC2)cc1	8083069	ASVKQHKMDDSMIT-UHFFFAOYSA-N	316.445	4.552	50	20	DJGD	
CC(C)C[C@H]1CCCN1C(=O)CCCC[C@@H]1CCSS1	128617381	JNMQPQLBCBMWBE-HUUCEWRRSA-N	315.548	4.738	50	20	DJGD	
O=C(CCCC[C@@H]1CCSS1)NC1CCCCCC1	302688125	MHLLCUMUOLMFKP-CQSZACIVSA-N	301.521	4.540	50	20	DJGD	
Cc1cc(OCc2cccc(Cl)c2)ccc1NC=C(C#N)C#N	728014831	HABJZSPWNMURKD-UHFFFAOYSA-N	323.783	4.570	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1ccc(F)c(Cl)c1	755405745	JILCMYPSOPDDNG-IZZDOVSWSA-N	305.761	4.639	50	20	DJGD	
Cc1cc(/C(C#N)=C/c2cnc(C(C)C)s2)ccc1[N+](=O)[O-]	774559928	UIPQJTPIYONCKK-NTUHNPAUSA-N	313.382	4.547	50	20	DJGD	
N#C/C(=C/c1ccsc1Cl)C(=O)Nc1ccccc1Cl	790102147	YTEAZNGHKUZASA-YFHOEESVSA-N	323.204	4.601	50	20	DJGD	
CSc1ccc(/C=C(/C#N)C(=O)c2cc3ccccc3o2)cc1	916131113	NVACHNILADNAMY-GDNBJRDFSA-N	319.385	4.945	50	20	DJGD	
CCC[C@H]1CCCCN1C(=O)CCCC[C@@H]1CCSS1	754594511	HYDGTTKAFNGONW-LSDHHAIUSA-N	315.548	4.882	50	20	DJGD	
C[C@@H]1CCC[C@H](C=NNC(=O)c2c(Cl)cccc2Cl)C1	768363828	DHXXBCJDLXAKRM-MNOVXSKESA-N	313.228	4.535	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cccc(C)c1OC(F)F	794873920	IGCLNAAEKKKDGF-LCYFTJDESA-N	307.340	4.509	50	20	DJGD	
CC[C@H](CC(F)(F)F)NCc1ccc(OCCCCl)cc1	811489327	APKLKXXSDKBNBP-CYBMUJFWSA-N	323.786	4.515	50	20	DJGD	
N#C/C(=C/c1ccc2c(c1)CCC2)C(=O)c1ccc2ncccc2c1	1339668961	CTYDSKYOTZXALD-NDENLUEZSA-N	324.383	4.513	50	20	DJGD	
CC(C)[C@H](C)O[C@@H]1CCCCCC[C@H]1I	253110816	DDSNMMSCGMZGIS-YNEHKIRRSA-N	324.246	4.574	50	20	DJGD	
N#C/C(=C\c1cc2ccccc2s1)c1cnc2ccccc2n1	588580335	MBHMNGIKEOGEMC-GXDHUFHOSA-N	313.385	4.909	50	20	DJGD	
C=CCOc1cccc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)c1	735619639	OOAVFRYOYWEWIP-WJDWOHSUSA-N	315.376	4.500	50	20	DJGD	
COCc1ccccc1/C=C(C)/C=C(/C#N)C(=O)C1CCCCC1	814190004	MZNZZMKNJGHHIW-UVBZOIGOSA-N	323.436	4.836	50	20	DJGD	
CC(C)[C@@H](CC(=O)NNc1cccc(Cl)c1)c1ccccc1	728515873	XCGGKKHJVHBPJG-QGZVFWFLSA-N	316.832	4.613	50	20	DJGD	
C[C@@H]1CCC[C@@H](C)C1NC(=O)CCCC[C@@H]1CCSS1	736110816	GKAFTXVDSPIMRQ-MGPQQGTHSA-N	315.548	4.641	50	20	DJGD	
O=C(NN=C1CC[C@H]2CCCC[C@H]2C1)c1cc2ccccc2o1	749823625	NGAUJFAULRUTEX-KGLIPLIRSA-N	310.397	4.509	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C/c3cccc(CCl)c3)[nH]c12	799891761	CDCINUGUWNPFNN-OQLLNIDSSA-N	307.784	4.674	50	20	DJGD	
N#C/C(=C\c1cccc(OC(F)F)c1)c1nc(C2CC2)cs1	843265587	OCUYIAJOKVARGX-WUXMJOGZSA-N	318.348	4.686	50	20	DJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)c(C)c1	915990570	OVLLDNCVGIZNLL-OVCLIPMQSA-N	318.351	4.714	50	20	DJGD	
Cc1csc(/C(C#N)=C\c2ccc(-c3ccccc3F)o2)n1	96843902	TWNOXJIZUBGUGK-WQLSENKSSA-N	310.353	4.915	50	20	DJGD	
Cc1ccc(F)c(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)c1	734981859	XMQUSEGDULQSPM-NTUHNPAUSA-N	322.314	4.544	50	20	DJGD	
N#C/C(=C/c1cscc1Cl)C(=O)Nc1ccc(Cl)cc1	771842966	VVNVAPUVIOPMKO-UITAMQMPSA-N	323.204	4.601	50	20	DJGD	
CN1/C(=C/C=C(/C#N)C(=O)CC(C)(C)C)C(C)(C)c2ccccc21	918733358	PGYKIZMVQHNLPF-CTGWRUSHSA-N	322.452	4.753	50	20	DJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccc(C)s2)c(C)c1	6209715	BBLQWVIVYSRTAF-OQLLNIDSSA-N	310.422	4.527	50	20	DJGD	
COc1ccc2ccccc2c1/C=C(/C#N)C(=O)CC(C)(C)C	918733245	JSCYTMIYVJKRSJ-PTNGSMBKSA-N	307.393	4.761	50	20	DJGD	
O=C(Nc1ccc(Oc2ccccc2Cl)cc1)[C@@H](F)Cl	2088605265	RMAGLELEBDGNDE-CYBMUJFWSA-N	314.143	4.605	50	20	DJGD	
CC1(C)CCc2cc(/C=C(\C#N)C(=O)c3ccsc3)ccc2O1	731564648	NKNPQBRFSKUNKB-MHWRWJLKSA-N	323.417	4.642	50	20	DJGD	
Cc1ccc(F)c(/C=C(/C#N)C(=O)c2ccc(Cl)cc2F)c1	773148858	FDVWHYUNVLILML-GHXNOFRVSA-N	317.722	4.717	50	20	DJGD	
N#C/C(=C/c1cc2ccccc2o1)C(=O)c1cc2ccccc2o1	810207653	MKNZLSJVVPKPAE-GDNBJRDFSA-N	313.312	4.969	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(F)c(Br)c1	726117941	GCTCKCGUNVYPDP-KPKJPENVSA-N	324.193	4.500	50	20	DJGD	
CCc1ccc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)s1	731156226	BGFOZHBQCBHICI-FMIVXFBMSA-N	301.798	4.754	50	20	DJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(Oc2cccnc2)c(C)c1	732714919	ZZFQZOLDZLNKDP-RQNDZEIBSA-N	320.392	4.705	50	20	DJGD	
CC(C)CC1(CNC(=O)CCCC[C@H]2CCSS2)CC1	756988241	NTRBLHZPXSVNFK-AWEZNQCLSA-N	315.548	4.643	50	20	DJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cscc2Cl)c1C	771840533	KRDMRVAXEJFYRH-WUXMJOGZSA-N	316.813	4.564	50	20	DJGD	
Cc1cc(/C=C(/C#N)C(=O)C2CCCCC2)cc2cccnc12	783708370	AXOTZZNANGCRFO-PDGQHHTCSA-N	304.393	4.600	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(OCCCCl)cc1	811691718	SMAXUVSFNJFCNM-NTCAYCPXSA-N	319.832	4.607	50	20	DJGD	
CC(C)c1ncc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)s1	812246249	HHWZMLXJFBOKMN-YHYXMXQVSA-N	323.343	4.744	50	20	DJGD	
CN(c1ccccc1)c1ccc(/C=C(/C#N)C(=O)C(C)(C)C)cc1	915841339	DUBBVZGBAMXNDS-VKAVYKQESA-N	318.420	4.977	50	20	DJGD	
N#C/C(=C\c1ccc(-c2ccccc2)s1)C(=O)c1ccco1	8200932	QDQORTIVZXPCIJ-SDNWHVSQSA-N	305.358	4.798	50	20	DJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3cccc(C)c3C)n2)cc1	731211008	IDKBZYPCWHILGR-WOJGMQOQSA-N	315.376	4.726	50	20	DJGD	
CC(C)c1cccnc1NC(=O)CCCC[C@H]1CCSS1	752499961	OIQGNXJFZHXCDB-ZDUSSCGKSA-N	324.515	4.858	50	20	DJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(F)c(Cl)c2)cc1	780803517	HAMXKQMSLXMSPP-UHFFFAOYSA-N	320.795	4.534	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cc(C)n(Cc2ccco2)c1C	794872935	AOJIQYYTIHTELU-GZTJUZNOSA-N	324.424	4.659	50	20	DJGD	
Cc1cccc2cc(C(=O)NNc3ccccc3Cl)sc12	809730914	JWGROPQUWDVIQH-UHFFFAOYSA-N	316.813	4.620	50	20	DJGD	
N#C/C(=C/c1cc2ccccc2o1)c1cc(C(F)(F)F)ccn1	812246187	FVYFJTSISJAUEY-WQLSENKSSA-N	314.266	4.911	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@@H](C)c1ccsc1	813158588	DEANZODMULZDDQ-ZDUSSCGKSA-N	317.458	4.567	50	20	DJGD	
CC[C@H](C)C(=O)NN=Cc1ccc(-c2ccccc2Cl)s1	915975699	ATLATXCMTHACPZ-NSHDSACASA-N	320.845	4.565	50	20	DJGD	
N#C/C(=C\c1ccccc1OC1CCCC1)C(=O)c1ccccc1	920062946	JDGVLTHVHGFUJI-NBVRZTHBSA-N	317.388	4.798	50	20	DJGD	
CC(C)n1cc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)cn1	171981720	WXEQQJCCQNCLTN-LZYBPNLTSA-N	320.421	4.652	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cccc(-c3cccnc3)c2)cc1	588467523	PVLRXAKBFTVFML-BKUYFWCQSA-N	324.383	4.847	50	20	DJGD	
N#C/C(=C/c1ccc(F)cc1C(F)(F)F)C(=O)c1ccccc1	771837994	NVPNRTXKWNOVLZ-JYRVWZFOSA-N	319.257	4.634	50	20	DJGD	
CC(C)(C)C(=O)/C(C#N)=C/c1cc(Cl)ccc1OCC1CC1	797398394	MSNRKILZRBZGHM-RIYZIHGNSA-N	317.816	4.651	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc3cnccc3c2)cc1C	809145783	FYZCWUQUURYHQX-RGVLZGJSSA-N	312.372	4.642	50	20	DJGD	
CN(CC(Cl)Cl)C(=O)c1ccc(C2CCCCC2)cc1	816628987	SJYZOPRVKFPYAI-UHFFFAOYSA-N	314.256	4.610	50	20	DJGD	
N#C/C(=C\c1sc2ccccc2c1Cl)C(=O)c1ccco1	16882689	YCXMYZHQSTVSNH-CSKARUKUSA-N	313.765	4.938	50	20	DJGD	
CC(C)(C)[C@H]1CCCN1C(=O)CCCC[C@H]1CCSS1	729402768	YHAVBSXGQAHDEC-UONOGXRCSA-N	315.548	4.738	50	20	DJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3ccc(C)c(F)c3)n2)cc1	731490378	VVOYBGRGVCWIHD-SXGWCWSVSA-N	319.339	4.557	50	20	DJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc([C@@H]3C[C@H]3C)o2)c1C	733780215	ORCKMQWUDYLYGM-FJTRLSIBSA-N	320.392	4.566	50	20	DJGD	
Cc1nc(/C(C#N)=C/c2ccc(C(F)(F)F)s2)sc1C	761481137	VUVKGCMSVDWRDP-WEVVVXLNSA-N	314.357	4.904	50	20	DJGD	
Cc1ccc2c(C(=O)NNc3ccc(Cl)cc3)csc2c1	795193517	QTPHROBQBTXSFV-UHFFFAOYSA-N	316.813	4.620	50	20	DJGD	
Cc1ccc(F)c(/C=C(\C#N)c2ncc(C(C)(C)C)s2)c1	797399521	SYXONDOQYZTULN-MDWZMJQESA-N	300.402	4.952	50	20	DJGD	
Cc1nc(/C(C#N)=C\c2cccc(OC3CC3)c2F)sc1C	849245042	ODUQORKEKFBOAB-JYRVWZFOSA-N	314.385	4.504	50	20	DJGD	
CCc1ccc(/C=C(\C#N)C(=O)c2ccc(Cl)cc2F)cc1	773154777	MRYUYCUIZJVQEP-NTEUORMPSA-N	313.759	4.831	50	20	DJGD	
CCOc1c(Cl)cccc1/C=C(/C#N)c1nc(C)cs1	779797849	LCWXCZMAFGTNJT-GHXNOFRVSA-N	304.802	4.568	50	20	DJGD	
CC(C)(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1	16411124	JJVDMDQMYBDROM-DTQAZKPQSA-N	304.393	4.530	50	20	DJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C\c2ccsc2)cc1	212123174	YFAYUKCRRYSZSZ-WJDWOHSUSA-N	310.422	4.636	50	20	DJGD	
C[C@@H]1COC[C@@H]1Nc1cccc(S(F)(F)(F)(F)F)c1	688009060	MQQUZYKCGYKEGY-KCJUWKMLSA-N	303.296	4.791	50	20	DJGD	
C[C@H]1C[C@@H](C)C[C@H](NC(=O)CCCC[C@@H]2CCSS2)C1	739809220	GLPMLGRSXLZMLQ-CBBWQLFWSA-N	315.548	4.641	50	20	DJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2cnc(C(C)C)s2)c1	758419034	ULNMYXGYRCWUBG-OVCLIPMQSA-N	310.422	4.673	50	20	DJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)c1cnco1	762756737	MYRSLAGVBXHUKS-UHFFFAOYSA-N	314.235	4.584	50	20	DJGD	
Cc1csc(C(=O)NNc2c(C)cccc2C(C)C)c1Cl	812767913	VZJMFHLSEGNSBP-UHFFFAOYSA-N	322.861	4.899	50	20	DJGD	
CC(=O)OC[C@H](C)Nc1cccc(S(F)(F)(F)(F)F)c1	893608559	HEXMQPGZXKRTDK-QMMMGPOBSA-N	319.295	4.708	50	20	DJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(C)ccc23)cc1	920068892	SRXUOSCWDORFIY-MHWRWJLKSA-N	300.361	4.575	50	20	DJGD	
N#C/C(=C/c1cnc(C2CCCC2)s1)C(=O)c1ccsc1	255205909	JZQMQJKWTXEPSH-QPEQYQDCSA-N	314.435	4.652	50	20	DJGD	
CCCC[C@@H]1CCCC1=NNC(=O)c1cc(C)nc2ccccc12	727254055	MWTTUTITIMYNQS-OAHLLOKOSA-N	323.440	4.619	50	20	DJGD	
CC(C)(C)c1ccccc1C(=O)NNc1cccc2c1CCCC2	748574381	ZJVQQIHDGWORCT-UHFFFAOYSA-N	322.452	4.620	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc2ccccc2o1	812766287	DDYOKKCAOLEDGJ-UHFFFAOYSA-N	308.381	4.622	50	20	DJGD	
N#C/C(=C\c1cccc(Oc2ccccc2)c1)C(=O)c1ccco1	8200398	XNCIREGXJNNHPC-FOWTUZBSSA-N	315.328	4.862	50	20	DJGD	
N#C/C(=C/c1ccc(F)cc1F)c1nc2cc(F)ccc2s1	730148325	DRPKXNMCNNNHSO-YHYXMXQVSA-N	316.307	4.778	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc2cc(OC)ccc2c1	741470580	RUIAQCJARAJVKL-XWAFYUISSA-N	307.393	4.761	50	20	DJGD	
CC1(C)CCCN(C(=O)CCCC[C@H]2CCSS2)CC1	741729859	FPHRQVQYLXCMGV-AWEZNQCLSA-N	315.548	4.739	50	20	DJGD	
Cc1ccc(/C=C(\C#N)c2nc(-c3ccccc3)no2)cc1Cl	766288158	COWHRTCCJGEHGS-OQLLNIDSSA-N	321.767	4.763	50	20	DJGD	
N#C/C(=C/c1cccc(C(F)(F)F)c1)C(=O)c1cccc(F)c1	772171137	DHPRMHQBHJJOLG-QPEQYQDCSA-N	319.257	4.634	50	20	DJGD	
CCc1cccc(Cl)c1/C=C(/C#N)C(=O)c1ccccc1F	788731258	CPTLCZMGHBARGK-RAXLEYEMSA-N	313.759	4.831	50	20	DJGD	
Cc1cc(C)cc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)c1	812246932	WYWONDWQZFJGJX-RIYZIHGNSA-N	302.299	4.781	50	20	DJGD	
Cc1ccc(C)c(NNC(=O)c2ccc(SC(C)C)cc2)c1	159218446	AGILMPIOFVOOIB-UHFFFAOYSA-N	314.454	4.561	50	20	DJGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1ccc(C(F)(F)F)s1	761383605	CVKRFYBDFGFMDJ-TWGQIWQCSA-N	301.333	4.679	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc3ccccc3s2)cc1	764892196	TUJNRBZVBCRMET-LFIBNONCSA-N	303.386	5.000	50	20	DJGD	
Cc1cc(C)cc(/C=C(/C#N)C(=O)c2ccc(Cl)cc2F)c1	773150342	NHXRCVDXBIKJTD-ZSOIEALJSA-N	313.759	4.886	50	20	DJGD	
Cc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C#N)cc1C	7155105	JBZLBZLDAXRRJR-UHFFFAOYSA-N	324.387	4.587	50	20	DJGD	
N#C/C(=C\c1ccc(CSC(F)F)o1)C(=O)c1ccccc1	7155880	RVWXEKRSEXXOJT-XYOKQWHBSA-N	319.332	4.525	50	20	DJGD	
Cc1n[nH]cc1CNc1cccc(S(F)(F)(F)(F)F)c1	186494504	GIKHKBABSGPOLQ-UHFFFAOYSA-N	313.295	4.988	50	20	DJGD	
O=C(CCCC[C@@H]1CCSS1)NCCC1=CCCCC1	247797530	SIFXKDUXFXQEAW-OAHLLOKOSA-N	313.532	4.707	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(C)n(C3CC3)c2C)s1	255715079	GXEDWTSAYZVUMN-DHDCSXOGSA-N	310.422	4.600	50	20	DJGD	
CC(C)(C)[C@H]1CCCN1C(=O)CCCC[C@@H]1CCSS1	729402769	YHAVBSXGQAHDEC-ZIAGYGMSSA-N	315.548	4.738	50	20	DJGD	
N#C/C(=C/c1ccc(Sc2ccccc2)cc1)c1ccncn1	758912912	OPZSKJHEWPUZPC-VBKFSLOCSA-N	315.401	4.692	50	20	DJGD	
CN(C(=O)CCCC[C@H]1CCSS1)[C@H]1CCC(C)(C)C1	794268637	BDUBJTCRCYHMBP-KBPBESRZSA-N	315.548	4.738	50	20	DJGD	
Cc1nn(C(C)C)cc1/C=C(/C#N)c1ncc(C(C)(C)C)s1	798345149	RQINSUAFNJCNDO-QPEQYQDCSA-N	314.458	4.591	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C1CC2(CC2)C1	857574464	RGOVRMVLNMJWDM-UHFFFAOYSA-N	314.454	4.513	50	20	DJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1cccc(-c2cccnc2)c1	1324056436	ADTGYSMBOUEYLK-DEDYPNTBSA-N	324.383	4.847	50	20	DJGD	
CC(C)Sc1ccccc1C(=O)NNc1cccc(Cl)c1	46081145	NNQBAJAXBBTZKE-UHFFFAOYSA-N	320.845	4.597	50	20	DJGD	
N#C/C(=C/c1ccccc1C(F)(F)F)C(=O)c1ccccc1F	212674142	OAOKBIMPVDYTEL-XFXZXTDPSA-N	319.257	4.634	50	20	DJGD	
N#C/C(=C\c1ccc(F)c(Cl)c1)C(=O)c1cc(F)cc(F)c1	772180016	ULCUCUCTFRQHMI-QDEBKDIKSA-N	321.685	4.547	50	20	DJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2ccc(Cl)cn2)s1	887283103	RBIJAWJGUAWKEO-UXBLZVDNSA-N	303.818	4.553	50	20	DJGD	
CC(C)=CCC[C@@H](C)CC=NNC(=O)c1ccccc1Cl	1317704625	XTBAVDPVRUIBDP-CQSZACIVSA-N	306.837	4.828	50	20	DJGD	
Cc1cccc(NNC(=O)c2ccc(-c3cccs3)s2)c1	1320307228	BALHWMAWHHLTTL-UHFFFAOYSA-N	314.435	4.542	50	20	DJGD	
O=C(NNc1ccccc1Cl)Nc1cccc2ccccc12	11006607	VRUJIPOOIRKRAT-UHFFFAOYSA-N	311.772	4.642	50	20	DJGD	
Cc1cccc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)c1	59133151	AHHHAULRHKZDME-AQTBWJFISA-N	312.372	4.694	50	20	DJGD	
Cc1cc(F)ccc1/C=C(\C#N)c1nc(-c2ccncc2)cs1	195175415	JDVHRTHXMHRWDB-OQLLNIDSSA-N	321.380	4.717	50	20	DJGD	
Cc1cc(Cl)ccc1/C=C(\C#N)c1nc2ccccc2n1C	767341190	ULEQAUKWJDUMDU-GXDHUFHOSA-N	307.784	4.599	50	20	DJGD	
C[C@H](O)C[C@H](C)NCc1cccc(S(F)(F)(F)(F)F)c1	921986748	NLGWGUHNWFUVSK-UWVGGRQHSA-N	319.339	4.593	50	20	DJGD	
CCNC(=S)Nc1cccc(S(F)(F)(F)(F)F)c1	690186096	YONMOFWHVAUTHP-UHFFFAOYSA-N	306.325	4.650	50	20	DJGD	
CCc1ccc(/C=C(/C#N)c2nc(-c3ccncc3)cs2)s1	731159160	ONVXGCNVXYUFIP-LCYFTJDESA-N	323.446	4.893	50	20	DJGD	
Cc1ccc([C@H](C)C(=O)NN(c2ccccc2)c2ccccc2)o1	742519195	JPRUOIUWRIFJIQ-INIZCTEOSA-N	320.392	4.561	50	20	DJGD	
Cc1cc(/C=C(/C#N)C(=O)CC(C)(C)C)ccc1Br	746393862	LJWYMSAFDYPGHX-JYRVWZFOSA-N	320.230	4.670	50	20	DJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(C)cc2C)c1C	915857540	VGCCBFIQRIXORK-UNOMPAQXSA-N	318.420	4.698	50	20	DJGD	
CC1(NC(=O)CCCC[C@@H]2CCSS2)CCCCC1	918685626	MPCXKOLFUVHEER-CYBMUJFWSA-N	301.521	4.540	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2ccc3c(c2)CCC3)c1C	1318717046	GDKJRHFNUPAGGQ-XDHOZWIPSA-N	301.389	4.582	50	20	DJGD	
Cc1cc(F)ccc1NC(=O)CCCC[C@@H]1CCSS1	247814675	CDGFVYGJKRFOHW-CYBMUJFWSA-N	313.463	4.787	50	20	DJGD	
CCC1CCC(=NNC(=O)c2c(Cl)cccc2Cl)CC1	727781915	ZQYJYYJEDYSNNS-UHFFFAOYSA-N	313.228	4.679	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(Cl)ccc2F)s1	753683484	QOVRYUSLCSXQCS-WDZFZDKYSA-N	305.761	4.639	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(F)c(C(F)(F)F)c1	755601249	NCRVCJYTNXIILO-QVIVLVACSA-N	313.294	4.757	50	20	DJGD	
Cc1ccc(F)c(/C=C(/C#N)C(=O)c2ccc(Cl)s2)c1	783687424	KYHRWUSTTOLAEK-XFFZJAGNSA-N	305.761	4.639	50	20	DJGD	
N#C/C(=C\c1ccsc1)C(=O)Nc1ccc(Cl)cc1Cl	6427412	KWZWEATXAGOXLQ-BJMVGYQFSA-N	323.204	4.601	50	20	DJGD	
Cc1ccc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc1Cl	588595824	XLEVDTODVJZUHF-SXGWCWSVSA-N	324.811	4.811	50	20	DJGD	
Cc1csc(/C(C#N)=C\c2cnc(-c3ccccc3)s2)n1	588616465	GFEMQDNGGWPMCM-QPEQYQDCSA-N	309.419	4.639	50	20	DJGD	
C[C@H](CNC(=O)CCCC[C@@H]1CCSS1)c1ccccc1	726185359	SWZCOHFXKVSVPN-GDBMZVCRSA-N	323.527	4.620	50	20	DJGD	
CC(C)CN(CC(C)C)C(=O)CCCC[C@H]1CCSS1	729625390	GWECMLSYGBEXMG-HNNXBMFYSA-N	317.564	4.841	50	20	DJGD	
CCc1cccc2c(/C=C(/C#N)C(=O)c3sccc3C)c[nH]c12	915989976	HXGPELNHSKULPS-ZROIWOOFSA-N	320.417	4.890	50	20	DJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3cccc(F)c3F)c[nH]c2c1	730729085	CXVRYNYUCQTNLC-JYRVWZFOSA-N	322.314	4.544	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C/c2scnc2C2CC2)n1	782340309	AQNMUAGUFKKDJV-VZUCSPMQSA-N	301.440	4.665	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C\c3ncc(C(C)(C)C)s3)[nH]c12	790600857	NVTXAILWOSEHGR-WQLSENKSSA-N	322.437	4.690	50	20	DJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc3ccccc3c2)cc1	6209528	UIJJMJAJORWVBV-CPNJWEJPSA-N	312.372	4.694	50	20	DJGD	
N#C/C(=C\c1ccc(F)c(F)c1)C(=O)c1ccc(Cl)cc1F	179607262	MDSMVSGIPGUUJC-BJMVGYQFSA-N	321.685	4.547	50	20	DJGD	
CC1CCC(N(C)C(=O)CCCC[C@@H]2CCSS2)CC1	302944594	KUTZZMSWJJQUPZ-YMAMQOFZSA-N	315.548	4.738	50	20	DJGD	
N#C/C(=C/c1ccc(Cl)c(F)c1)C(=O)c1cc(F)cc(F)c1	772175272	IIOSAHGYLFXSFM-JYOAFUTRSA-N	321.685	4.547	50	20	DJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2ccc(O)c(Cl)c2)s1	797398607	IZPCFBZPZKRKQV-WDZFZDKYSA-N	318.829	4.864	50	20	DJGD	
N#C/C(=C/c1cccc(CCl)c1)C(=O)c1ccc(Cl)s1	799892293	NJVFSXDLNUQCAM-GHXNOFRVSA-N	322.216	4.930	50	20	DJGD	
C/C(N)=C(/C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	806552977	CSOZXPAKOOVWTD-GHRIWEEISA-N	317.417	4.690	50	20	DJGD	
Cc1ccc(/C=C(\C#N)c2nc3ccccc3n2C(F)F)s1	23612243	QUMVERSUEXXRJP-DHZHZOJOSA-N	315.348	4.866	50	20	DJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(-c2cccc(F)c2F)o1	790099144	FDLMOBGKMQYMLO-UTEVDWOZSA-N	315.319	4.747	50	20	DJGD	
Cc1cc(C)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c1	921262724	XKMOITSXQOWSPY-MHWRWJLKSA-N	324.811	4.811	50	20	DJGD	
COc1ccc(/C=C(/C#N)c2nc3cc(F)ccc3s2)cc1	730148687	JSAHRXNREJFVQU-WQLSENKSSA-N	310.353	4.508	50	20	DJGD	
COc1ccc(/C=C(/C#N)c2nc3cc(F)ccc3s2)s1	763114628	QSXPWMHYVLCDJV-TWGQIWQCSA-N	316.382	4.570	50	20	DJGD	
Cc1cc(Cl)cc(C)c1/C=C(/C#N)C(=O)c1ccsc1	776190324	RENRIKLOCZJKJU-QPEQYQDCSA-N	301.798	4.808	50	20	DJGD	
CCCn1cccc1/C=C(/C#N)C(=O)c1cc2ccccc2s1	788328882	RIBCGAURLZMGFB-PTNGSMBKSA-N	320.417	4.903	50	20	DJGD	
BrCc1nc(-c2ccccc2)oc1-c1ccccc1	98178154	QJIDJLVBNDSDRA-UHFFFAOYSA-N	314.182	4.904	50	20	DJGD	
N#C/C(=C\c1ccccc1C#N)c1nc2cc(Cl)ccc2s1	121016029	YDWVLEZCRYMAJM-NTUHNPAUSA-N	321.792	4.886	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1cnc(C(C)(C)C)s1	172522743	LJVIUOJCNJOKKP-YRNVUSSQSA-N	316.451	4.600	50	20	DJGD	
CCCCC1CCC(C(=O)/C(C#N)=C/c2cccc(O)c2)CC1	741470624	UDDBVLCLIMAZQE-LDADJPATSA-N	311.425	4.865	50	20	DJGD	
Cc1cc(C)c(NNC(=O)c2ccc(Cl)c(Cl)c2)c(C)c1	743762906	ORRAQNJBTYPVJN-UHFFFAOYSA-N	323.223	4.676	50	20	DJGD	
Cc1occc1C(=O)/C(C#N)=C\c1csc(Cl)c1Cl	761392412	LOBWLGRESYFVBM-YWEYNIOJSA-N	312.177	4.746	50	20	DJGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2cscc2Cl)cc1	771841618	PMKJDTGJPODCGZ-KPKJPENVSA-N	316.813	4.510	50	20	DJGD	
Cc1cccc([C@H](C)C(=O)NNc2ccc(C(C)(C)C)cc2)c1	780802336	JQBPSOUQIOKHMC-HNNXBMFYSA-N	310.441	4.539	50	20	DJGD	
N#C/C(=C/c1cccc(C#N)c1)C(=O)c1cc2ccccc2s1	788330405	HWOIIPUNZAYUIJ-SXGWCWSVSA-N	314.369	4.563	50	20	DJGD	
N#C/C(=C/c1cc2ccccc2s1)c1nc2ccccc2[nH]1	123336660	WIITUURMRJLGGJ-RAXLEYEMSA-N	301.374	4.842	50	20	DJGD	
CCC[C@@H]1CCCN(C(=O)CCCC[C@H]2CCSS2)C1	758176958	UGERSQZKMYENGF-CABCVRRESA-N	315.548	4.739	50	20	DJGD	
CC(C)(C)c1ccc(NNC(=O)CCCc2cccs2)cc1	780804766	JHSHIHCSAJERFY-UHFFFAOYSA-N	316.470	4.512	50	20	DJGD	
Cc1cc(F)c(/C=C(\C#N)c2nc(C3CC3)cs2)c(F)c1	843268189	FZVAIJDWBVAGHO-IZZDOVSWSA-N	302.349	4.671	50	20	DJGD	
O=C(C1CCC(Cl)CC1)N1CCCC[C@H]1c1ccccc1	1123785669	JVPVDVZHAOGTAL-JCYILVPMSA-N	305.849	4.538	50	20	DJGD	
N#C/C(=C\c1ccc(-c2ccccc2)cc1)C(=O)Nc1ccccc1	28356309	IGMXODLYKDXCNT-HMMYKYKNSA-N	324.383	4.899	50	20	DJGD	
Cc1ccc(NNC(=O)C(C)(C)c2ccc3ccccc3c2)cc1	749192961	JBAVRHWDIPQNNI-UHFFFAOYSA-N	318.420	4.569	50	20	DJGD	
Cc1ccnc2[nH]c(/C(C#N)=C\c3cc4ccccc4s3)nc12	758433285	HAZLDVLUJHNBED-LCYFTJDESA-N	316.389	4.545	50	20	DJGD	
N#C/C(=C/c1coc2ccccc12)C(=O)c1ccc(Cl)s1	783687686	OATGMXASXSSQMN-YFHOEESVSA-N	313.765	4.938	50	20	DJGD	
Cc1nc(/C(C#N)=C\c2cnc(-c3ccco3)s2)sc1C	789141309	CPXGUGDYZZXEAB-WDZFZDKYSA-N	313.407	4.541	50	20	DJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc3occc3c2)c1C	794684376	ACPKFEZCCHLEMU-GZTJUZNOSA-N	316.360	4.595	50	20	DJGD	
N#C/C(=C\c1ccc(O)c(Cl)c1)C(=O)c1cc2ccccc2o1	194857157	GNPIAFZPJZSCEV-NTUHNPAUSA-N	323.735	4.582	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ncc(C(C)(C)C)s2)cc1	790608945	IXCPKQWYKFIXBF-NTEUORMPSA-N	310.422	4.539	50	20	DJGD	
N#C/C(=C/c1ccccc1)c1ncc(C(F)(F)F)cc1Cl	810250405	HPOFETLUPQSDHE-WDZFZDKYSA-N	308.690	4.818	50	20	DJGD	
N#CC1(CNCc2cccc(S(F)(F)(F)(F)F)c2)CC1	894204584	QLZVQSJWOHKNPF-UHFFFAOYSA-N	312.307	4.737	50	20	DJGD	
Cc1nc(/C(C#N)=C/c2cnc(C3CCC3)s2)sc1C	157254654	KFIKGRQUWBKEQV-WUXMJOGZSA-N	301.440	4.548	50	20	DJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2sccc2Cl)c(C)c1	588600748	LUUVUOIDBQWCJZ-XYOKQWHBSA-N	316.813	4.564	50	20	DJGD	
COc1cc(Cl)c(/C=C(/C#N)C(=O)C(C)(C)C)cc1Cl	753887854	OOGPQKHFJFKWHE-YHYXMXQVSA-N	312.196	4.524	50	20	DJGD	
N#C/C(=C\c1cccc(Cl)c1F)C(=O)c1c[nH]c2ccccc12	759645137	UUCPLGZKYHFFLL-XYOKQWHBSA-N	324.742	4.750	50	20	DJGD	
N#C/C(=C/c1cc2ccccc2o1)C(=O)c1ccc2ncccc2c1	794885637	UTQBODFKMPWZEX-ATVHPVEESA-N	324.339	4.771	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cccc(-c2ccccn2)c1	794875817	ZORRGPSTIBZAMO-GHRIWEEISA-N	304.393	4.661	50	20	DJGD	
Cc1ccc2c(C(=O)NNc3cccc(Cl)c3)csc2c1	794912824	OYGCSPRKAWMMEK-UHFFFAOYSA-N	316.813	4.620	50	20	DJGD	
CC(=C\c1ccccc1)/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1	33395223	MFRBNPQLHHHXNA-MHMBTURYSA-N	322.795	4.832	50	20	DJGD	
CC(C)c1ncc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)s1	758416477	DQZGMKUHMBLGDE-KPKJPENVSA-N	316.813	4.710	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc(F)ccc1Br	761175722	CWCPSWOHJSOOCZ-KPKJPENVSA-N	324.193	4.500	50	20	DJGD	
N#C/C(=C/c1cccc(Br)c1)C(=O)C1CCCCC1	767714460	PVIFIIUHCWXJSQ-ZROIWOOFSA-N	318.214	4.505	50	20	DJGD	
CCc1ccc(/C=C(/C#N)C(=O)c2ccc(Cl)cc2F)s1	773151697	VQZAEEQLIXAVTM-YFHOEESVSA-N	319.788	4.893	50	20	DJGD	
CC(CCCC(F)(F)F)=NNC(=O)c1cccc2ccccc12	774387974	ZAARBQRDNGWTAQ-UHFFFAOYSA-N	322.330	4.678	50	20	DJGD	
Cc1c[nH]nc1CNc1cccc(S(F)(F)(F)(F)F)c1	810153098	NGRXALLRRKWADO-UHFFFAOYSA-N	313.295	4.988	50	20	DJGD	
O=C(NNc1ccc(Cl)cc1)c1ccc(C2CCCC2)cc1	810683646	HALIKULDFRKHQD-UHFFFAOYSA-N	314.816	4.755	50	20	DJGD	
O=C(NN=Cc1cccc2ccccc12)c1ccc2ccccc2c1	864010179	PLMYHBDZTGFOGN-UHFFFAOYSA-N	324.383	4.757	50	20	DJGD	
Cc1noc(C)c1-c1nc(CO[Si](C)(C)C(C)(C)C)cs1	864537001	AOLCMXJAXGSAFC-UHFFFAOYSA-N	324.522	4.937	50	20	DJGD	
N#C/C(=C/c1ccc(-c2ccccc2)o1)c1ccc([N+](=O)[O-])cc1	4510701	IZOUSMNMENACPH-VBKFSLOCSA-N	316.316	4.919	50	20	DJGD	
N#C/C(=C/c1cnc(-c2cccs2)s1)C(=O)C1CCCC1	781554363	NKLGIGBNDZWUSD-WQLSENKSSA-N	314.435	4.538	50	20	DJGD	
N#C/C(=C\c1ccsc1Cl)C(=O)c1c[nH]c2ccccc12	790101812	SRIYNAILUBBCPB-YRNVUSSQSA-N	312.781	4.673	50	20	DJGD	
C[C@H](NCc1ccc(OCCCCl)cc1)c1ccccc1	811471687	HZKCZYAQGDULTH-HNNXBMFYSA-N	303.833	4.545	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1nc(-c2ccccc2)cs1	125483109	RSBUPBBYCVSCBH-OJNRTJSBSA-N	310.422	4.722	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(Cl)c(F)c2)s1	729820641	UNWGOWNJEQEDHR-IZZDOVSWSA-N	305.761	4.639	50	20	DJGD	
Cc1cc(F)ccc1/C=C(\C#N)c1nc2cc(F)ccc2s1	730149672	DRBHQCKNDQTOBU-KPKJPENVSA-N	312.344	4.947	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C/c3ccc(Cl)c(F)c3)[nH]c12	735618684	DTCSNXMQGOIOMN-KPKJPENVSA-N	311.747	4.728	50	20	DJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)cc1C	783688497	YRLFAPCROSBTFX-WQLSENKSSA-N	317.797	4.508	50	20	DJGD	
C[C@@H](NC(=O)CCCC[C@H]1CCSS1)c1ccsc1	801115702	BSSYNFOIJBBXPX-YPMHNXCESA-N	315.529	4.639	50	20	DJGD	
CC(C)[C@H](CC(F)(F)F)NCCO[Si](C)(C)C(C)(C)C	808750394	NSJLHQSGIGCFKB-LBPRGKRZSA-N	313.480	4.575	50	20	DJGD	
Cc1ccccc1C(=O)/C(C#N)=C/C=C/c1ccc(F)c(F)c1	1257399574	RLGYLSXMHIJDAB-HUSDYWJVSA-N	309.315	4.619	50	20	DJGD	
Cc1ccc(-c2csc3nc([C@H](C)Cl)[nH]c(=O)c23)c(C)c1	20303828	IAFCYXQFTCSTPO-JTQLQIEISA-N	318.829	4.568	50	20	DJGD	
Cc1cc(C)cc(NNC(=O)c2ccc(SC(C)C)cc2)c1	193564142	ABUFPERUCGNPTD-UHFFFAOYSA-N	314.454	4.561	50	20	DJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2ccc(OC)c(F)c2)cc1	212606964	GCWPUBAVUNZUAC-BOPFTXTBSA-N	323.367	4.577	50	20	DJGD	
CCc1ccc([C@H](C)CC(=O)NNc2cccc(Cl)c2)cc1	737787358	JYOFOBQWDOGOMP-CYBMUJFWSA-N	316.832	4.539	50	20	DJGD	
O=C(NN=CC1CCCCCC1)c1c(Cl)cccc1Cl	741843602	QPTKIZVZWGHCDT-UHFFFAOYSA-N	313.228	4.679	50	20	DJGD	
N#C/C(=C\c1ccsc1)C(=O)c1cccc(C(F)(F)F)c1	780373818	HJGCCJJFFUVJQK-WUXMJOGZSA-N	307.296	4.557	50	20	DJGD	
C/C(=C/C(=O)NNc1ccc(C(C)(C)C)cc1)c1ccccc1	780806419	PTJKYYHJACVLFB-PFONDFGASA-N	308.425	4.531	50	20	DJGD	
Cc1cc(F)ccc1/C=C(\C#N)C(=O)c1ccc(Cl)s1	783686770	AEJNWQCCQNYFGV-YRNVUSSQSA-N	305.761	4.639	50	20	DJGD	
CC[C@H](CC(F)(F)F)C(=O)NNc1c(C)cccc1C(C)C	832322515	MAVYKPKFQRZBKP-GFCCVEGCSA-N	316.367	4.540	50	20	DJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2cccs2)cc1	915852674	JDYBWZGAEFHGMK-LKKYZFDUSA-N	310.422	4.807	50	20	DJGD	
O=C(CCCC[C@@H]1CCSS1)N(C1CCCC1)C1CC1	730776222	VNNLLMZTUJNBGW-OAHLLOKOSA-N	313.532	4.634	50	20	DJGD	
O=C(NNc1cccc2c1CCCC2)c1cc2ccccc2s1	748588013	GLPNJQSPVICCDH-UHFFFAOYSA-N	322.433	4.537	50	20	DJGD	
CCSc1cccc(/C=C(/C#N)C(=O)c2sccc2C)c1	769724094	FGHJTARSTALCJE-ZROIWOOFSA-N	313.447	4.958	50	20	DJGD	
CC(C)C(=NNC(=O)c1ccccc1Cl)C1CCCCC1	1318500377	AVWHXACNEUXZRY-UHFFFAOYSA-N	306.837	4.662	50	20	DJGD	
N#C/C(=C/c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl	5772008	KQFGXLDPQUVMIJ-XFXZXTDPSA-N	317.175	4.539	50	20	DJGD	
Cc1ccc(F)cc1/C=C(\C#N)C(=O)c1ccc(Cl)cc1F	777870576	FPMGOJWUFMGSDY-WUXMJOGZSA-N	317.722	4.717	50	20	DJGD	
CC(C)(C)c1cnc(/C=C(\C#N)c2nc(C3CC3)cs2)s1	843273408	ROVDTMQQTYJFPL-IZZDOVSWSA-N	315.467	4.839	50	20	DJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2cccn2CCC)cc1	918185023	VYSOVUMTQSDVMB-JXAWBTAJSA-N	306.409	4.640	50	20	DJGD	
COc1cccc(C(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)c1	7211312	QVRCKWSBAVODRT-WOJGMQOQSA-N	305.377	4.608	50	20	DJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)c(C)c1	207894743	PQOYPHGSTYVNIU-YBEGLDIGSA-N	300.361	4.575	50	20	DJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3ccc(C)c(F)c3)n2)cc1	731490377	VVOYBGRGVCWIHD-CXUHLZMHSA-N	319.339	4.557	50	20	DJGD	
N#C/C(=C\c1coc2ccccc12)c1nc(-c2ccccc2)no1	746523817	YOJUDOLHDXPMIS-GXDHUFHOSA-N	313.316	4.547	50	20	DJGD	
CCCOc1cccc(/C=C(\C#N)C(=O)c2ccc(C)cc2)c1	764891025	IXOASRILOFQMTN-LDADJPATSA-N	305.377	4.574	50	20	DJGD	
N#C/C(=C/c1ccc(O)c(Cl)c1)c1cc(C(F)(F)F)ccn1	812246705	SDPHYNLVLDQWRI-YHYXMXQVSA-N	324.689	4.524	50	20	DJGD	
N#C/C(=C\c1ccc(Cl)nc1)c1nc(-c2ccccc2)cs1	749000377	XXTUEWPYZCIYMH-RIYZIHGNSA-N	323.808	4.923	50	20	DJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2cc3ccccc3o2)cc1C	915986103	VBXGQJCLHYTUFD-YVLHZVERSA-N	301.345	4.840	50	20	DJGD	
N#C/C(=C\c1ccccc1-c1ccccc1)C(=O)Nc1ccccc1	917516298	RQZKGOWXCBOFPQ-XDJHFCHBSA-N	324.383	4.899	50	20	DJGD	
N#C/C(=C\c1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl	5772026	UOBJNOWAKCMWMH-XYOKQWHBSA-N	317.175	4.539	50	20	DJGD	
Cc1csc(/C(C#N)=C/c2ccc(C(C)C)c([N+](=O)[O-])c2)n1	32534671	FXVDYZOLYMWHAW-AWNIVKPZSA-N	313.382	4.547	50	20	DJGD	
COC1CC(Nc2cccc(S(F)(F)(F)(F)F)c2)C1	690228851	NYDBUFRXHGNXAK-UHFFFAOYSA-N	303.296	4.933	50	20	DJGD	
CC(C)c1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2)cc1	747609178	NKPBCNNPOBCVGN-UHFFFAOYSA-N	322.330	4.586	50	20	DJGD	
Cc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1C	915982548	JYGLJTHIGMKAIL-GDNBJRDFSA-N	310.784	4.503	50	20	DJGD	
COc1ccc(/C=C(/C#N)c2nc(C)c(C)s2)c2ccccc12	125457474	WRSHVRKRLDMNPR-GDNBJRDFSA-N	320.417	4.986	50	20	DJGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1cc(F)cc(C(F)(F)F)c1	772796262	GKKIFRNXUBSVNR-NYYWCZLTSA-N	313.294	4.757	50	20	DJGD	
CCOc1c(Cl)cccc1/C=C(/C#N)C(=O)CC(C)(C)C	780003914	AFQNPBYSNBONBT-LCYFTJDESA-N	305.805	4.651	50	20	DJGD	
CCC(CC)CN(CC)C(=O)CCCC[C@@H]1CCSS1	915632849	FUHORJMHGWGNMJ-OAHLLOKOSA-N	317.564	4.985	50	20	DJGD	
CC[C@@H](O)CCNCc1cccc(S(F)(F)(F)(F)F)c1	921851316	NHFNEBBLGYNJPY-LLVKDONJSA-N	319.339	4.595	50	20	DJGD	
N#C/C(=C/c1ccccc1OCc1ccccc1)c1ccccn1	211372134	HTHDREKWNLWDLB-RGEXLXHISA-N	312.372	4.725	50	20	DJGD	
N#C/C(=C/c1c(Cl)cccc1Cl)C(=O)c1ccccc1F	212675287	YABIXVHPZCJVOJ-NTMALXAHSA-N	320.150	4.922	50	20	DJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cccc(CCl)c1	490977256	SUHMDSOTPKMSDV-LICLKQGHSA-N	324.811	4.588	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(F)cc1Br	767729252	ODCAHIFUFBLLBA-VPMLRQHESA-N	324.193	4.500	50	20	DJGD	
Cc1csc(/C(C#N)=C/c2ccc(C)c(Br)c2)n1	162495126	VJSLARXTWXLKIA-LFYBBSHMSA-N	319.227	4.587	50	20	DJGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(Cl)s2)ccc1C	194527091	PVBZCOYHYVEZPQ-KPKJPENVSA-N	317.797	4.508	50	20	DJGD	
CCCCC(CC)=NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	732923572	FJJQXEHPKJIDBW-GFCCVEGCSA-N	306.475	4.559	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C/c3cccc(Cl)c3F)[nH]c12	759643545	NGIMLUABUQSTQF-XYOKQWHBSA-N	311.747	4.728	50	20	DJGD	
Cc1cccc(F)c1NNC(=O)[C@H](C)c1ccc2ccccc2c1	771707779	SEHPYTNREDMLLD-CQSZACIVSA-N	322.383	4.534	50	20	DJGD	
N#C/C(=C/c1cnc(-c2ccc(Cl)cc2)s1)c1ccccn1	789127709	OOFCLHUQPSZOQU-LCYFTJDESA-N	323.808	4.923	50	20	DJGD	
CCc1cccc(C)c1NNC(=O)c1cc2cc(C)c(C)cc2o1	799755308	BOYYXVKCJJWFQG-UHFFFAOYSA-N	322.408	4.677	50	20	DJGD	
O=C1/C(=C/c2ccc(OCCCCl)cc2)Cc2ccccc21	811685529	VISMWMHRMIMXAS-FOWTUZBSSA-N	312.796	4.517	50	20	DJGD	
CN(C(=O)CCCC[C@@H]1CCSS1)C1CCCCCC1	914756916	AOUQZUACNBXOJJ-OAHLLOKOSA-N	315.548	4.882	50	20	DJGD	
CCSc1cc(Cl)ccc1C(=O)NNc1cccc(C)c1	130926048	PDOKBWABZQPGOY-UHFFFAOYSA-N	320.845	4.517	50	20	DJGD	
Cc1csc(/C(C#N)=C\c2cc(F)cc(C(F)(F)F)c2)n1	255362910	YBCXJTQXICKHBF-SGAXSIHGSA-N	312.291	4.674	50	20	DJGD	
CCC1(C)CCN(C(=O)CCCC[C@H]2CCSS2)CC1	750767700	BOCFCIUEFJPTMM-AWEZNQCLSA-N	315.548	4.739	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C\c2scnc2C2CC2)n1	782340311	AQNMUAGUFKKDJV-WZUFQYTHSA-N	301.440	4.665	50	20	DJGD	
Cc1cc(C)cc(NNC(=O)c2ccc(-c3ccccc3)s2)c1	1248574576	FHIYPMNNCKUUMR-UHFFFAOYSA-N	322.433	4.789	50	20	DJGD	
N#C/C(=C/c1cccc(-c2cccnc2)c1)C(=O)c1ccccc1	768466633	INIQKMARCKCVLO-MOSHPQCFSA-N	310.356	4.538	50	20	DJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2csc3ccccc23)c1	810197852	YKIJCGGINAXCKY-UVTDQMKNSA-N	318.401	4.755	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cccc(C(F)F)c1	812765109	VYYVFCYOJAHQJQ-UHFFFAOYSA-N	318.367	4.813	50	20	DJGD	
CCc1ccc(/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1	8482683	UTLDNZOKJFPZRY-ATVHPVEESA-N	314.388	4.829	50	20	DJGD	
Cc1ccc(C#N)cc1NC(=O)CCCC[C@@H]1CCSS1	69304302	XGTVOQUIDGBMOI-CQSZACIVSA-N	320.483	4.519	50	20	DJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2cc(F)cc(F)c2)s1	797397727	ATQLSJGEAVSDPC-WCIBSUBMSA-N	304.365	4.783	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cccc(Cl)c1	812768828	IOKJWEUPJMESSK-UHFFFAOYSA-N	302.805	4.529	50	20	DJGD	
Cc1csc(-c2nnc([C@H](Br)C(C)(C)C)o2)c1	1261844421	NVBYGRQZGQEEIP-VIFPVBQESA-N	315.236	4.589	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cnc(C3CCC3)s2)c1C	155224616	VSIIRXRPOBBTRN-OQLLNIDSSA-N	322.433	4.817	50	20	DJGD	
O=C(CCCC[C@H]1CCSS1)N1C2CCCC1CCC2	742122492	WAGYAXALBIGTIL-NRXISQOPSA-N	313.532	4.634	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cccc(Cl)c2F)s1	759645206	VZIVHGNZHZOTTB-YRNVUSSQSA-N	305.761	4.639	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C/c3ccc(Cl)cc3F)[nH]c12	782197213	PMYUNVVUNIJCQG-KPKJPENVSA-N	311.747	4.728	50	20	DJGD	
Cc1ccc(C)c(/C=C(\C#N)C(=O)c2ccc(Cl)s2)c1	783688551	ZOUSBBPFUNNXRP-MDWZMJQESA-N	301.798	4.808	50	20	DJGD	
Cc1cc(C)c(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)cc1C	7157962	KAEGAXCEXRQEKY-YBFXNURJSA-N	318.420	4.774	50	20	DJGD	
CSc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])c(C)c2)cc1	774558498	KWUUAJSIKAZLRX-GDNBJRDFSA-N	310.378	4.689	50	20	DJGD	
CC(/C=C(/C#N)C(=O)C1CCCCC1)=C\c1cccc([N+](=O)[O-])c1	787172050	SEJPFHSOLVJBJR-RLGXRJJKSA-N	324.380	4.597	50	20	DJGD	
N#C/C(=C\c1ccc2occc2c1)C(=O)c1cc2ccccc2o1	794686879	PEZUKYYSYNNMQH-MHWRWJLKSA-N	313.312	4.969	50	20	DJGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1csc2ccccc12	810197835	XPFDCRQGKJKHBH-ZQVQTSOTSA-N	324.449	4.503	50	20	DJGD	
Cc1cc(C(=O)NNc2ccc(C(C)C)cc2)c(C)n1C(C)C	837057938	IJHYLHBEOSCULN-UHFFFAOYSA-N	313.445	4.566	50	20	DJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2ccccc2OCC)cc1	915851969	HFQXBWUITVZJRH-RGEXLXHISA-N	319.404	4.828	50	20	DJGD	
Cc1cc2cc(/C=C(\C#N)C(=O)Nc3ccccc3)oc2cc1C	749808756	BHXYYXIYLUBGNV-LFIBNONCSA-N	316.360	4.595	50	20	DJGD	
N#C/C(=C/c1cccc(-c2cccnc2)c1)C(=O)C1CCCCC1	768471344	FAENVHHVHGLJCY-MOSHPQCFSA-N	316.404	4.805	50	20	DJGD	
CC(=C/c1ccccc1)/C=C(\C#N)C(=O)c1ccc2ncccc2c1	794964391	BNIHPQATADVFNI-WGVPTNTPSA-N	324.383	4.971	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc(C(F)(F)F)ccc1F	733207158	VVUDGGWVEZOTDK-KPKJPENVSA-N	313.294	4.757	50	20	DJGD	
N#C/C(=C\c1csc(Cl)c1Cl)c1nc2ccccc2[nH]1	761377813	USHXHPHQFPJDDS-VMPITWQZSA-N	320.204	4.995	50	20	DJGD	
N#C/C(=C/c1ccc(F)cc1Cl)C(=O)c1c[nH]c2ccccc12	767717352	LNJDLBGIPNBGSD-GHXNOFRVSA-N	324.742	4.750	50	20	DJGD	
CC(C)[C@@H]1CCCN(C(=O)CCCC[C@@H]2CCSS2)C1	781096155	WUUHUIWZLZAXIM-HUUCEWRRSA-N	315.548	4.595	50	20	DJGD	
C#CCOc1ccccc1/C=C(/C#N)c1ncc(C(C)(C)C)s1	797398632	JHAVQRLCALBYDV-PTNGSMBKSA-N	322.433	4.517	50	20	DJGD	
CCCONC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	831621798	QRRDLUUJQHLMJF-UHFFFAOYSA-N	320.283	4.807	50	20	DJGD	
Cc1cc(C)cc(/C=C(/C#N)C(=O)c2c[nH]c3cc(C)ccc23)c1	921268416	ATVHAQWEULCTFA-YVLHZVERSA-N	314.388	4.883	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CC1CCC1	175639131	BUWFKYVNGQXDFK-UHFFFAOYSA-N	302.443	4.513	50	20	DJGD	
N#C/C(=C/c1nccc2ccccc12)C(=O)c1cccc(Cl)c1	740764929	KPVCOVDWAILLPS-PTNGSMBKSA-N	318.763	4.678	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc(Br)ccc1F	741469997	ONKXFNOUFYUYNW-BZPKPHBRSA-N	324.193	4.500	50	20	DJGD	
CCSc1cccc(/C=C(\C#N)C(=O)c2cccc(OC)c2)c1	769724222	HHNWSMTVSRNKTG-MHWRWJLKSA-N	323.417	4.597	50	20	DJGD	
Cc1cccc([C@H](C)C(=O)NNc2cc(Cl)cc(Cl)c2)c1	791734210	JYUBUDZEMQWMMB-NSHDSACASA-N	323.223	4.549	50	20	DJGD	
C/C(N)=C(\C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	806552978	CSOZXPAKOOVWTD-LGMDPLHJSA-N	317.417	4.690	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@H](C)c1ccsc1	813158587	DEANZODMULZDDQ-CYBMUJFWSA-N	317.458	4.567	50	20	DJGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1cc(F)ccc1Br	761176322	MSDPKSVTELYGIG-WDZFZDKYSA-N	324.193	4.500	50	20	DJGD	
CCc1ccc(/C=C(\C#N)C(=O)c2ccc(Cl)cc2F)s1	773151693	VQZAEEQLIXAVTM-JXMROGBWSA-N	319.788	4.893	50	20	DJGD	
Cn1c(/C(C#N)=C\c2cccc3ccccc23)nc2ccccc21	33417522	ZMGNUAIXOLEWPF-LGMDPLHJSA-N	309.372	4.791	50	20	DJGD	
FS(F)(F)(F)(F)c1cccc(NCc2csnn2)c1	184099510	ZCDKHJZPTGGMDA-UHFFFAOYSA-N	317.308	4.808	50	20	DJGD	
CCc1cccc2c(/C=C(/C#N)C(=O)c3ccccc3C)c[nH]c12	212132706	FVGZBRAQHGWVKE-WJDWOHSUSA-N	314.388	4.829	50	20	DJGD	
O=C(CCCC[C@@H]1CCSS1)N[C@H]1CC12CCCCC2	770869281	NTAVABJIXJQTTF-KGLIPLIRSA-N	313.532	4.540	50	20	DJGD	
N#C/C(=C/c1ccsc1Cl)C(=O)c1cc2ccccc2o1	790099189	IWUPLMWLUBYFEZ-GHXNOFRVSA-N	313.765	4.938	50	20	DJGD	
C=C(CNC(=O)CCCC[C@@H]1CCSS1)c1ccccc1	805250056	KZVCETBSCHIRRT-MRXNPFEDSA-N	321.511	4.530	50	20	DJGD	
Cc1cc(C)cc(/C=C(\C#N)C(=O)c2c[nH]c3cc(C)ccc23)c1	921268411	ATVHAQWEULCTFA-LICLKQGHSA-N	314.388	4.883	50	20	DJGD	
Cc1ccc(-c2n[nH]cc2/C=C(\C#N)c2nc(C)c(C)s2)cc1	125420084	WNYUAYUTRKOCFP-OVCLIPMQSA-N	320.421	4.523	50	20	DJGD	
CCCC[C@H]1CCCC1=NNC(=O)c1ccc2ccccc2c1	727255167	JTEBMMPSMGTNKB-INIZCTEOSA-N	308.425	4.916	50	20	DJGD	
N#C/C(=C\c1nccc2ccccc12)C(=O)c1c[nH]c2ccccc12	740764608	ZTRAJHWOGTWKTR-RVDMUPIBSA-N	323.355	4.506	50	20	DJGD	
Cc1csc(/C(C#N)=C\c2c(Cl)oc3ccccc23)n1	761175087	AFANQQLUCREKMT-POHAHGRESA-N	300.770	4.915	50	20	DJGD	
Cc1cc(/C=C(/C#N)C(=O)c2cc3ccccc3s2)c(C)o1	788326992	IGZZJMFHNSDLGS-NVNXTCNLSA-N	307.374	4.901	50	20	DJGD	
C=CCCC(C)(C)NC(=O)CCCC[C@H]1CCSS1	856374429	ACRVTYFLYMTDRN-ZDUSSCGKSA-N	301.521	4.562	50	20	DJGD	
Cc1ccccc1/C=C(/C#N)c1nc(-c2ccncc2)cs1	58180733	XWHHPRMVYXHGTO-YBEGLDIGSA-N	303.390	4.578	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cccc2c1OC(C)(C)C2	737443123	GYNGODKMOFLVIC-DHDCSXOGSA-N	323.417	4.560	50	20	DJGD	
Cc1ccc2oc(C(=O)NNc3ccc(C(C)(C)C)cc3)cc2c1	780805967	MPILWYQMPOLZTQ-UHFFFAOYSA-N	322.408	4.796	50	20	DJGD	
Cc1cc(/C(C#N)=C\c2sccc2Cl)ccc1[N+](=O)[O-]	782352001	OYYCWQUQWZOVJC-XFFZJAGNSA-N	304.758	4.682	50	20	DJGD	
CCOc1ccc(/C=C(\C#N)c2nc(C3CC3)cs2)cc1F	843266711	YSGJZMRPDBEZQS-NTUHNPAUSA-N	314.385	4.622	50	20	DJGD	
N#C/C(=C/C=C\c1ccc(F)cc1)C(=O)c1c[nH]c2ccccc12	747695053	GFJFGFXABKFVOV-GVLLYKPYSA-N	316.335	4.653	50	20	DJGD	
N#C/C(=C/c1scnc1C1CC1)C(=O)c1ccc(Cl)s1	782351676	NJKABAODRVYWBM-UITAMQMPSA-N	320.826	4.525	50	20	DJGD	
Cc1cccc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)c1C	783687431	JBTWUARNTKRUQP-JYRVWZFOSA-N	301.798	4.808	50	20	DJGD	
CC(C)(C)C(=O)NN=Cc1ccc(-c2cccc(Cl)c2)s1	915970105	YAHRMXSHXKYGCV-UHFFFAOYSA-N	320.845	4.565	50	20	DJGD	
N#C/C(=C\c1ccsc1)c1nc(-c2ccc(C#N)cc2)cs1	98125352	BUNZABWIZRVUTP-VIZOYTHASA-N	319.414	4.807	50	20	DJGD	
Cc1ccc(F)c(NNC(=O)[C@H](C)c2ccc3ccccc3c2)c1	760131475	OWRIUMTWDTXCGE-CQSZACIVSA-N	322.383	4.534	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H]1CC=CCC1	175637429	BVDWTDAXFYXFQJ-HNNXBMFYSA-N	314.454	4.679	50	20	DJGD	
N#C/C(=C\c1cc(F)ccc1F)C(=O)c1ccc(Cl)cc1F	179615835	ACMIAPDKPWRAAU-BJMVGYQFSA-N	321.685	4.547	50	20	DJGD	
Cn1cc(CNc2ccc(S(F)(F)(F)(F)F)cc2)cn1	689651701	ZKEYEVRGCPZJML-UHFFFAOYSA-N	313.295	4.690	50	20	DJGD	
N#C/C(=C/c1ccc2cnccc2c1)C(=O)c1c[nH]c2ccccc12	779798832	NWHIEARQOPTYMK-YVLHZVERSA-N	323.355	4.506	50	20	DJGD	
Cc1cc(C)cc(NNC(=O)c2csc3cc(C)ccc23)c1	794922922	JLYNKXCYASCYSR-UHFFFAOYSA-N	310.422	4.583	50	20	DJGD	
Cc1cc(C(=O)NNc2c(C)cccc2C(C)C)c(C)s1	812768227	KXYYCMJTHMAQIV-UHFFFAOYSA-N	302.443	4.554	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C\c2cccc(-n3cccn3)c2)n1	760208815	BLHGDFQRJDIERA-DHDCSXOGSA-N	320.421	4.516	50	20	DJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1Cl	779708356	ULQFNWSHUHNWDF-XNTDXEJSSA-N	310.784	4.503	50	20	DJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2cccc(OC(C)C)c2)c1	921270805	ZGGYOVOETNKENM-YBFXNURJSA-N	319.404	4.881	50	20	DJGD	
CC[C@@H](C)c1ccc(C(=O)NNc2ccccc2Cl)cc1	748316994	AZJLRYVWFHTFNW-GFCCVEGCSA-N	302.805	4.610	50	20	DJGD	
Cc1ccc(C)c(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)c1	6430520	VHUWQXJSNJUVTR-GZTJUZNOSA-N	314.388	4.883	50	20	DJGD	
Cn1cncc1CNc1ccc(S(F)(F)(F)(F)F)cc1	689648366	KNNIODJNEHQDGE-UHFFFAOYSA-N	313.295	4.690	50	20	DJGD	
Cn1c(/C(C#N)=C/c2cc3cc(F)ccc3o2)nc2ccccc21	741851776	GQVCDPSKLHQCLC-JLHYYAGUSA-N	317.323	4.523	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1sccc1Cl	812766886	YXMMKVOWDDKSRQ-UHFFFAOYSA-N	308.834	4.590	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CC1CCCC1	175625673	NLYDDOLBOWIISW-UHFFFAOYSA-N	316.470	4.903	50	20	DJGD	
CCCCC[C@@H](NC(=O)NNc1ccccc1)c1ccccc1	734275245	QXAMAGVQCABHFH-GOSISDBHSA-N	311.429	4.634	50	20	DJGD	
Cc1ccc(F)c(/C=C(\C#N)C(=O)c2ccc(Cl)s2)c1	783687427	KYHRWUSTTOLAEK-YRNVUSSQSA-N	305.761	4.639	50	20	DJGD	
N#C/C(=C/c1ccc(C#N)s1)C(=O)c1cc2ccccc2s1	788331561	NMTZFLOGSNDLGE-GHXNOFRVSA-N	320.398	4.624	50	20	DJGD	
COCc1ccc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)cc1	797398334	GMFLSPLDMVHICO-OQLLNIDSSA-N	312.438	4.651	50	20	DJGD	
CC(C)C(=O)/C(C#N)=C\c1c(Cl)ccc(Cl)c1Cl	915989634	AMKGHXLVNQFBBG-YVMONPNESA-N	302.588	4.779	50	20	DJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3cc(C)cc(C)c3)n2)cc1	921262269	RVYCSBMIBNDZJQ-WQRHYEAKSA-N	315.376	4.726	50	20	DJGD	
O=C(NN=C1CCCCC12CCCC2)c1ccccc1Cl	1117739730	MFKOSZPATZYGLH-UHFFFAOYSA-N	304.821	4.560	50	20	DJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1cccc(-c2ccccn2)c1	1319366188	BCOPFFOQNJGIOG-RGEXLXHISA-N	324.383	4.847	50	20	DJGD	
Cc1csc(/C(C#N)=C/c2cc(C)c(OC(F)F)c(C)c2)n1	8207512	RDEPXCHJTKBGEF-AWNIVKPZSA-N	320.364	4.734	50	20	DJGD	
Cc1cc2nc(/C=C\c3cnn(CCCl)c3)sc2cc1C	209321389	SZRGLGKACAPWMO-ARJAWSKDSA-N	317.845	4.519	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(Br)c(C)c1	746393950	MYIJCYVVDUTUNY-LUHPIMIVSA-N	320.230	4.670	50	20	DJGD	
Cc1ccc(NNC(=O)[C@H](C)c2c(Cl)cccc2Cl)cc1	749192874	CMCARYAOUSCAKJ-LLVKDONJSA-N	323.223	4.549	50	20	DJGD	
CSc1cc(/C(C#N)=C/c2cccc(Cl)c2Cl)ncn1	773177232	UTCQNRZNMGBODR-BJMVGYQFSA-N	322.220	4.569	50	20	DJGD	
Cc1cc(/C(C#N)=C\c2cccc(CCl)c2)ccc1[N+](=O)[O-]	799891455	DIGYWSKYWOYIER-SXGWCWSVSA-N	312.756	4.706	50	20	DJGD	
CCn1c(C)cc(/C=C(\C#N)C(=O)c2ccc(C)c(C)c2)c1C	809145695	DCVNGFHGQLRZJM-YBFXNURJSA-N	306.409	4.532	50	20	DJGD	
Cc1cnc([C@@H](C)N2CCC[C@H](O[Si](C)(C)C(C)(C)C)C2)o1	844335607	GQOZTKWCCIFLPT-CABCVRRESA-N	324.541	4.530	50	20	DJGD	
CC/C=C(\C)C(=O)Nc1c(CC)cc(SC#N)cc1CC	175624646	VLLWTTXDOVZVCE-XYOKQWHBSA-N	302.443	4.679	50	20	DJGD	
CCCCCC[C@@H]1CCCC1=NNC(=O)c1ccc(C)cc1O	728157021	RAGFCAWWLVBTSN-OAHLLOKOSA-N	316.445	4.557	50	20	DJGD	
COc1ccc(/C=C(\C#N)c2nc3cc(F)ccc3s2)cc1C	730149792	ZJMFATMBTBNNTC-MDWZMJQESA-N	324.380	4.817	50	20	DJGD	
CCC1(CC)CCN(C(=O)CCCC[C@@H]2CCSS2)C1	755557511	FPSMROVNDDUBKI-CQSZACIVSA-N	315.548	4.739	50	20	DJGD	
Cc1ccc(NCc2ccc(OCCCCl)cc2)c(C)c1	864017935	HFPCXBLHKBFOJY-UHFFFAOYSA-N	303.833	4.923	50	20	DJGD	
CCCCOc1ccc(/C=C(\C#N)C(=O)c2ccc(F)cc2)cc1	7350254	UAHADXHIUBCUAY-GHRIWEEISA-N	323.367	4.794	50	20	DJGD	
COc1ccc2cc(/C=C(/C#N)C(=O)c3ccccc3)ccc2c1	211393605	VRMMUCHPSBGKRT-UNOMPAQXSA-N	313.356	4.638	50	20	DJGD	
CC/C=C(/C)C(=O)Nc1c(CC)cc(SC#N)cc1CC	255901922	VLLWTTXDOVZVCE-WQLSENKSSA-N	302.443	4.679	50	20	DJGD	
CCCC(CCC)=NNC(=O)c1c(Cl)cccc1Cl	727781023	AFRGTDTTWYYRCU-UHFFFAOYSA-N	301.217	4.679	50	20	DJGD	
N#C/C(=C\c1cc(F)ccc1F)c1nc2cc(F)ccc2s1	730148856	NTXWIVUYYJWXGD-BJMVGYQFSA-N	316.307	4.778	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C/c3cnc(C(C)(C)C)s3)[nH]c12	736433333	DAHCMXVDNKZOBZ-XYOKQWHBSA-N	322.437	4.690	50	20	DJGD	
Cc1ccnc2[nH]c(/C(C#N)=C/c3ccc(CC(C)C)cc3)nc12	755703543	DKPZPMLDFHZMFQ-GZTJUZNOSA-N	316.408	4.529	50	20	DJGD	
N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)c1ccccc1	915841353	GSJDUHKMXCFPDZ-FOWTUZBSSA-N	317.319	4.876	50	20	DJGD	
CC(C)c1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1	206249441	LTIFBWOASQMWAP-SMEDBKPVSA-N	318.420	4.594	50	20	DJGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccc(Oc2ccccc2)o1	588409897	BFSNQXMHIIGBKX-KAMYIIQDSA-N	319.316	4.763	50	20	DJGD	
Cc1cc(/C=C(/C#N)C(=O)c2cc3ccccc3o2)ccc1F	729151205	SYNSQWXEDGXCSA-DHDCSXOGSA-N	305.308	4.670	50	20	DJGD	
COc1ccc(Cl)cc1/C=C(\C#N)c1nc2cccc(C)c2[nH]1	735619414	MUDIYWNOPPJFTI-MDWZMJQESA-N	323.783	4.598	50	20	DJGD	
Cc1ccc(C)c(NNC(=O)[C@H](C)c2ccc3ccccc3c2)c1	748426531	ALQTURHNMUCHCK-MRXNPFEDSA-N	318.420	4.703	50	20	DJGD	
C[C@H](c1ccccc1)N(C)C(=O)CCCC[C@@H]1CCSS1	52917685	PFODRPMABMWNSB-GDBMZVCRSA-N	323.527	4.920	50	20	DJGD	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)CC(C)(C)C)cc1F	739425246	NORSNHCQCYJBHP-XNTDXEJSSA-N	316.420	4.584	50	20	DJGD	
CCc1ccc(/C=C(/C#N)C(=O)c2ccc(Cl)cc2F)cc1	773154793	MRYUYCUIZJVQEP-ZROIWOOFSA-N	313.759	4.831	50	20	DJGD	
N#C/C(=C/c1cc(Cl)cs1)c1nc(-c2ccccc2)no1	779799527	SUYADCNHIOQJOR-WDZFZDKYSA-N	313.769	4.516	50	20	DJGD	
N#C/C(=C\c1ccc(C(F)F)cc1)C(=O)c1ccccc1F	794873189	QKUWUQOVFWESKH-UKTHLTGXSA-N	301.267	4.553	50	20	DJGD	
N#C/C(=C/c1ccc(C(F)F)cc1)C(=O)c1cc(F)cc(F)c1	794875722	XYEVVKJRSPGSHJ-ACAGNQJTSA-N	319.257	4.692	50	20	DJGD	
O=C(NCC1CC1)Nc1ccc(S(F)(F)(F)(F)F)cc1	181776674	SFSXVSOELOTVOU-UHFFFAOYSA-N	316.295	4.876	50	20	DJGD	
N#C/C(=C/c1ccccc1F)C(=O)c1c(Cl)cccc1Cl	206997478	FQQXVUFTOCNNTR-FLIBITNWSA-N	320.150	4.922	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(-c2ccccc2F)o1	726118155	JMWPSEMITJLTJR-KAMYIIQDSA-N	311.356	4.998	50	20	DJGD	
CCCCCC(=O)Nc1c(CC)cc(SC#N)cc1CC	748667727	ORUFGWCHQRQSAK-UHFFFAOYSA-N	304.459	4.903	50	20	DJGD	
N#C/C(=C/c1sc2ccccc2c1Cl)C(=O)c1ccoc1	752884226	DQJUWASKFSMVDP-XFFZJAGNSA-N	313.765	4.938	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cccc(-c3ccccn3)c2)cc1	764884124	BSBLGFUXXWILFO-ZHZULCJRSA-N	324.383	4.847	50	20	DJGD	
C[C@@H]1CCC[C@H](N(C)C(=O)CCCC[C@@H]2CCSS2)C1	914498902	WXKUVHOZUOQTLP-QLFBSQMISA-N	315.548	4.738	50	20	DJGD	
CCC[C@H](NC(=O)NNc1ccccc1Cl)c1ccccc1	915913816	CICLWQZAFOHDHU-HNNXBMFYSA-N	317.820	4.508	50	20	DJGD	
CC[C@H](O)CCNCc1cccc(S(F)(F)(F)(F)F)c1	921851319	NHFNEBBLGYNJPY-NSHDSACASA-N	319.339	4.595	50	20	DJGD	
Cc1ccc(F)cc1/C=C(\C#N)c1nc(-c2ccncc2)cs1	182285740	QTFAKEJUEMISFE-OVCLIPMQSA-N	321.380	4.717	50	20	DJGD	
N#C/C(=C/c1c(Cl)oc2ccccc12)C(=O)c1ccsc1	761177000	QWDSOQCICZPHPB-XFFZJAGNSA-N	313.765	4.938	50	20	DJGD	
CCn1c(C)cc(/C=C(/C#N)C(=O)c2ccc(C)c(C)c2)c1C	809145694	DCVNGFHGQLRZJM-ODLFYWEKSA-N	306.409	4.532	50	20	DJGD	
CC(C)(F)C(=O)/C(C#N)=C/c1cc(Cl)cc(C(F)(F)F)c1	834448350	YTAHZUSHFYMWAD-YCRREMRBSA-N	319.685	4.583	50	20	DJGD	
CSc1ccc(/C=C(\C#N)c2nc(C3CC3)cs2)s1	843274276	VNSRVZGTOBLBQX-UXBLZVDNSA-N	304.465	4.868	50	20	DJGD	
C[C@@H](C[C@@H](C)O)NCc1cccc(S(F)(F)(F)(F)F)c1	921986749	NLGWGUHNWFUVSK-VHSXEESVSA-N	319.339	4.593	50	20	DJGD	
N#C/C(=C/c1cnc(-c2ccccc2)s1)C(=O)c1ccccc1	727263861	HUFYAZOFKSBHIH-WJDWOHSUSA-N	316.385	4.600	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cc(F)c(F)c(F)c2)c1C	727976015	ZXVOETKIQYOBJJ-AWNIVKPZSA-N	315.294	4.511	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(OC)c2ccccc12	741469930	NKCCRMJOIIKMSY-RGHBXIHOSA-N	307.393	4.761	50	20	DJGD	
Cc1cc(C)c(NNC(=O)c2cc3ccccc3s2)c(C)c1	743765674	XGEANUPNQLGJCS-UHFFFAOYSA-N	310.422	4.583	50	20	DJGD	
N#C/C(=C\c1ccc2ccccc2c1)C(=O)c1cccc(F)c1	772179909	SUXAQWDIDDLFRC-WOJGMQOQSA-N	301.320	4.769	50	20	DJGD	
COc1ccc(Oc2ccc(/C=C(/C#N)C(=O)C(C)C)cc2)cc1	783689079	RHKCLPPAUNJUOL-VBKFSLOCSA-N	321.376	4.620	50	20	DJGD	
N#C/C(=C\c1ccc(C(F)F)cc1)C(=O)c1cc(F)cc(F)c1	794875723	XYEVVKJRSPGSHJ-WLRTZDKTSA-N	319.257	4.692	50	20	DJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3ccccc3Cl)n2)cc1	915862606	MKYVOPSIWPTTAS-GDNBJRDFSA-N	321.767	4.763	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1ccc2ccccc2c1	915990641	RXQXSTOESIMTCM-GZTJUZNOSA-N	303.386	5.000	50	20	DJGD	
CCCCCC[C@@H](CC)C(=O)NNc1nccc2sccc12	740927922	WQLVMJRLNNLZKB-CYBMUJFWSA-N	319.474	4.736	50	20	DJGD	
Cc1cccc(NNC(=O)[C@H](c2cccc(Cl)c2)C(C)C)c1	749527836	PWBXRVVVHUGEMA-KRWDZBQOSA-N	316.832	4.531	50	20	DJGD	
COCCCCNCc1cccc(S(F)(F)(F)(F)F)c1	921544172	TUGNGOBIEMMADQ-UHFFFAOYSA-N	319.339	4.860	50	20	DJGD	
O=C(CCl)Nc1cc(Cl)ccc1Sc1ccccc1	1319682865	YXBUXQAPXIFYTO-UHFFFAOYSA-N	312.221	4.669	50	20	DJGD	
CC(C)(C)C(=O)/C(C#N)=C\c1cccc(OCc2ccccc2)c1	212109887	PKMVZVZVBIWCRX-PDGQHHTCSA-N	319.404	4.788	50	20	DJGD	
Cc1cc(NC(=O)CCCC[C@H]2CCSS2)ccc1F	303142313	DCSRPBQVJGNNNC-ZDUSSCGKSA-N	313.463	4.787	50	20	DJGD	
Cc1cc(/C(C#N)=C/c2cccc(Cl)c2F)ccc1[N+](=O)[O-]	774557487	FJECOCVGQJJCNT-MDWZMJQESA-N	316.719	4.760	50	20	DJGD	
C/C(=C\c1cccc(Cl)c1)C(=O)NNc1ccc(Cl)cc1	810683821	JXJYTHOCLOGCMG-PKNBQFBNSA-N	321.207	4.540	50	20	DJGD	
CCOc1ccc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)cc1	812248528	OLIRDUXWURHTOQ-UKTHLTGXSA-N	318.298	4.563	50	20	DJGD	
CCCc1ccc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)s1	856720160	DJVDVLWJEYDUBG-PTNGSMBKSA-N	324.449	4.863	50	20	DJGD	
CC(=NNC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2)C(C)C	916356741	YYRRRSUDVGNFTI-AWEZNQCLSA-N	320.502	4.661	50	20	DJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1cc2cc(F)ccc2o1	1318695333	DTPUWEVYMVITOT-GXDHUFHOSA-N	305.308	4.670	50	20	DJGD	
CC(C)(C)C(=O)/C(C#N)=C/c1cccc(OCc2ccccc2)c1	6209292	PKMVZVZVBIWCRX-LDADJPATSA-N	319.404	4.788	50	20	DJGD	
Cc1csc(/C(C#N)=C\c2cnc(C3CCCC3)s2)n1	255227345	WXOPEARMRKIJBW-SDQBBNPISA-N	301.440	4.630	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2c(F)cccc2Cl)c1C	727827379	BMXOFOXTHSJNNE-LCYFTJDESA-N	313.759	4.886	50	20	DJGD	
Cc1ncsc1/C=C(\C#N)c1nc2cc(Cl)ccc2s1	742430780	AXFBTRKISDFAGL-RUDMXATFSA-N	317.826	4.779	50	20	DJGD	
Cc1oc2ccccc2c1/C=C(/C#N)C(=O)c1ccccc1F	759035948	SLGIDTYFBZIMSW-RAXLEYEMSA-N	305.308	4.670	50	20	DJGD	
Cc1cc(Cl)cc(C)c1/C=C(/C#N)c1nc2c(C)ccnc2[nH]1	776189480	HBCVOACCVHBRFK-JYRVWZFOSA-N	322.799	4.601	50	20	DJGD	
COc1ccc2ccccc2c1/C=C(/C#N)C(=O)C1CCCC1	781552653	BZBIDVNELWNMOD-VBKFSLOCSA-N	305.377	4.515	50	20	DJGD	
Cc1cc(C)c(NNC(=O)c2cc(C)c(Cl)cc2C)c(C)c1	793706435	LJFGWKCIFINVGF-UHFFFAOYSA-N	316.832	4.639	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(SC(F)F)cc1	794873128	BLFPRVSUVIFPQD-FMIVXFBMSA-N	309.381	4.914	50	20	DJGD	
CC(C)(C)C(=O)NN=Cc1ccc(-c2ccc(Cl)cc2)s1	915969282	HQUBMVKMCDHMPM-UHFFFAOYSA-N	320.845	4.565	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C\c2ccc(O[C@@H](C)C#N)cc2)n1	83024485	PTSBXYYPQKNKIP-PBTLCFMXSA-N	323.421	4.622	50	20	DJGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)cc1	726120153	KMLYRXXAIOBGCU-UYRXBGFRSA-N	319.404	4.788	50	20	DJGD	
Cc1cc2cc(/C=C(\C#N)C(=O)c3ccoc3C)oc2cc1C	749808715	YCMNTUFKQOIIKQ-OQLLNIDSSA-N	305.333	4.741	50	20	DJGD	
CCn1c(C)cc(/C=C(\C#N)C(=O)c2ccc(Cl)s2)c1C	783687511	LDBAWWQBLHNCQP-MDWZMJQESA-N	318.829	4.630	50	20	DJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1cnc(C2CCCC2)s1	1116299112	NKSNMPGVIUKNDC-GDNBJRDFSA-N	322.433	4.899	50	20	DJGD	
c1ccc(-c2nnc(CCCC[C@@H]3CCSS3)o2)cc1	1253074831	UZNYNAYRUYXFPQ-CYBMUJFWSA-N	306.456	4.603	50	20	DJGD	
N#C/C(=C\c1ncc(-c2ccccc2)[nH]1)c1ccc2ccccc2n1	1326526117	ANEXHYXZKBXNBQ-SFQUDFHCSA-N	322.371	4.689	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc(C)n(Cc2ccco2)c1C	726183436	KZMXERYDPQCLFS-WQRHYEAKSA-N	324.424	4.659	50	20	DJGD	
COc1ccc(/C=C(/C#N)C(=O)c2cc3ccccc3s2)cc1	788326065	BRHDXPGSOXWVLQ-GDNBJRDFSA-N	319.385	4.700	50	20	DJGD	
Cc1ccc(C)c(/C=C(/C#N)C(=O)c2ccc3ncccc3c2)c1	794883995	GBSGSQMHNIVNJU-UNOMPAQXSA-N	312.372	4.642	50	20	DJGD	
Cc1csc2nc(/C=C\c3cccc(CCl)c3)nc(O)c12	799892638	SPVGHJRSCKIMTI-WAYWQWQTSA-N	316.813	4.615	50	20	DJGD	
O=C(NN=C1CC[C@H]2CCCC[C@H]2C1)c1ccc2ccccc2c1	917547568	VXNBFSVQJOROPB-AEFFLSMTSA-N	320.436	4.916	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C/c2cnn(-c3ccccc3)c2)n1	176918149	OSSOXCCKOHTKHX-OVCLIPMQSA-N	320.421	4.516	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc(C)c(OC(F)F)c(C)c1	726118958	SAPOCRFCOJSXJR-OQLLNIDSSA-N	321.367	4.817	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(N2CCCCC2)cc1	741473413	IELZETZFPKEMJX-WDMNMGCXSA-N	310.441	4.589	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C\c2ccc(N(C)C)c(F)c2)n1	747441225	ZCUGURNIQGJDNM-QPEQYQDCSA-N	315.417	4.536	50	20	DJGD	
Cc1cccc(NNC(=O)c2coc3ccc(C(C)C)cc23)c1	806398589	NGNOKDOEYGEEBW-UHFFFAOYSA-N	308.381	4.622	50	20	DJGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1ccc(N2CCCCC2)cc1	918712853	CEVWCTHWNSMUSV-GHRIWEEISA-N	310.441	4.589	50	20	DJGD	
N#C/C(=C\c1ccccc1F)C(=O)c1c(Cl)cccc1Cl	59270844	FQQXVUFTOCNNTR-DHZHZOJOSA-N	320.150	4.922	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cnc(C(C)(C)C)s2)c1C	736433676	JADCPFAIYYSTME-ZROIWOOFSA-N	324.449	4.847	50	20	DJGD	
Cc1oc2ccccc2c1/C=C(/C#N)C(=O)c1cccc(F)c1	772172486	QRQFNAQZVPRVEP-UVTDQMKNSA-N	305.308	4.670	50	20	DJGD	
N#C/C(=C/c1csc(-c2cccs2)n1)C(=O)C1CCCC1	781554873	ACUIUQMDAJNZDJ-WQLSENKSSA-N	314.435	4.538	50	20	DJGD	
CC(=NNC(=O)c1cc2c(s1)CCCCC2)C1CCCCC1	916369573	GSHWFJPHKSCSMS-UHFFFAOYSA-N	318.486	4.703	50	20	DJGD	
CC(C)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	129673347	VVYWYSDWXRWBTR-LLVKDONJSA-N	311.756	4.500	50	20	DJGD	
N#C/C(=C\c1ccccc1C#N)c1nc(-c2ccccc2)cs1	254968771	LFDZUZUVNLZTQL-LICLKQGHSA-N	313.385	4.746	50	20	DJGD	
Cc1oc2ccccc2c1/C=C(/C#N)c1ccc([N+](=O)[O-])cc1	759072060	JIMVDBMUNTXLHR-UVTDQMKNSA-N	304.305	4.714	50	20	DJGD	
Cc1cc(/C=C(\C#N)c2nc(C(C)C)cs2)cnc1Cl	760211187	NKPRTPJAXMJDFD-LFYBBSHMSA-N	303.818	4.688	50	20	DJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cc(Cl)cc(C(F)(F)F)c1	780153716	RUFVLLABVDZUAI-BUBXLPKJSA-N	315.722	4.881	50	20	DJGD	
N#C/C(=C\c1cscc1C(F)(F)F)C(=O)C1CCCCC1	811627782	GXPTZRMQDGMPHW-IZZDOVSWSA-N	313.344	4.823	50	20	DJGD	
Cc1cc(C)cc(/C=C(/C#N)c2nc(-c3ccncc3)cs2)c1	921269479	MVRCFNSEUSXMRU-YVLHZVERSA-N	317.417	4.886	50	20	DJGD	
CCc1oc2ccccc2c1/C=C(/C#N)C(=O)c1ccccc1	212079684	HQWIIFFPJWKUDY-QINSGFPZSA-N	301.345	4.785	50	20	DJGD	
C=CCOc1ccc(/C=C(\C#N)c2nc(C)cs2)cc1Cl	255290506	QLLXIAOIROFCQV-NTUHNPAUSA-N	316.813	4.734	50	20	DJGD	
CCCC(=NNC(=O)c1ccc(O)c(Cl)c1)C1CCCCC1	734096152	IQXPFAHFWWSAOB-UHFFFAOYSA-N	322.836	4.512	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(SC(F)F)cc1	781549372	DSFNXZUJTHGWCD-KWJWQAOWSA-N	309.381	4.914	50	20	DJGD	
Cc1ccc(C)c(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)c1	812247178	ZXIJUGDVNHAOSA-ZSOIEALJSA-N	302.299	4.781	50	20	DJGD	
CC[C@@H](C)C(C)=NNC(=O)c1ccc(-c2ccc(F)cc2)s1	917029620	MATQGCKPDOHTRX-LLVKDONJSA-N	318.417	4.706	50	20	DJGD	
Cc1csc(/C(C#N)=C/c2ccc(C(F)(F)F)cc2C)n1	193864476	IREDIVQEUDETCI-WUXMJOGZSA-N	308.328	4.843	50	20	DJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2cc(C)cc(C)c2)c1C	742576146	YNOUBAHUWDAVAJ-XDHOZWIPSA-N	318.420	4.698	50	20	DJGD	
CSc1cc(/C(C#N)=C\c2cc(Cl)cc(Cl)c2)ncn1	773152833	ZWEPXCHJIVPPLY-SGAXSIHGSA-N	322.220	4.569	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C\c3cc(F)cc(Cl)c3)[nH]c12	776720994	WBRRGCPVDWXCEO-XGICHPGQSA-N	311.747	4.728	50	20	DJGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1ccc(SC(F)F)cc1	781548727	GCGLGPILSJHFQP-XYOKQWHBSA-N	309.381	4.914	50	20	DJGD	
Cc1ccc2sc(C(=O)NNc3ccc(Cl)cc3)cc2c1	810683927	MICVYRRUHOKHCZ-UHFFFAOYSA-N	316.813	4.620	50	20	DJGD	
CC(=C/c1ccccc1)/C=C(\C#N)C(=O)Nc1ccc(C)cc1C	211535831	RGOUCKOZEBEPRH-IYEWMPBZSA-N	316.404	4.795	50	20	DJGD	
Cc1n[nH]cc1CNc1ccc(S(F)(F)(F)(F)F)cc1	689651555	XXCAUZBQGIRKFA-UHFFFAOYSA-N	313.295	4.988	50	20	DJGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1cc(C(F)(F)F)ccc1F	733207195	WFURBQSSQOFLEJ-WDZFZDKYSA-N	313.294	4.757	50	20	DJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cc(C(F)(F)F)ccc1Cl	753682135	CZTNPQHZUHBZBU-VKRGWIQLSA-N	315.722	4.881	50	20	DJGD	
COc1cc(Cl)c(/C=C(\C#N)C(=O)C(C)(C)C)cc1Cl	753887853	OOGPQKHFJFKWHE-BJMVGYQFSA-N	312.196	4.524	50	20	DJGD	
N#C/C(=C/c1ccc(-c2cccc(F)c2F)o1)c1ccccn1	790100974	KOVSSOVDGPQLMX-BENRWUELSA-N	308.287	4.684	50	20	DJGD	
COc1ccc(F)cc1/C=C(\C#N)c1ncc(C(C)(C)C)s1	812241426	DNDQLLQAYIEFQD-KPKJPENVSA-N	316.401	4.652	50	20	DJGD	
Cc1ccccc1C(=O)/C(C#N)=C/C=C/c1ccc(F)cc1F	1342420201	AMDCSTOAXZQSCR-HUSDYWJVSA-N	309.315	4.619	50	20	DJGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(C(C)(C)C)cc1	7156957	WQCLOZYLXXMSLU-GHRIWEEISA-N	318.420	4.838	50	20	DJGD	
C[C@H](CF)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	287200418	QERJKMITXHLHHV-SSDOTTSWSA-N	322.274	4.824	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc(C)c(OC(F)F)c(C)c1	726118931	SAPOCRFCOJSXJR-DHDCSXOGSA-N	321.367	4.817	50	20	DJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2cc(C)oc2C)c1C	767877499	DSFPVCYMPVVYTD-YVLHZVERSA-N	310.397	4.515	50	20	DJGD	
CC[C@H](C)C(=O)/C(C#N)=C/C(C)=C\c1ccccc1OC(F)F	811689662	IURMJBJJQOTPHT-ANBSHFMUSA-N	319.351	4.756	50	20	DJGD	
CCCOc1cccc(/C=C(\C#N)c2nc(C3CC3)cs2)c1	843266530	WZEBDEPAISAPKI-OQLLNIDSSA-N	310.422	4.873	50	20	DJGD	
N#C/C(=C/c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1F	212673778	XWAQZAUUKRIHBV-XFFZJAGNSA-N	320.150	4.922	50	20	DJGD	
CCC[C@@H](C)C(=O)NNc1c(Cl)cc(Cl)cc1Cl	301192267	AMPFBBXKXHYIHS-SSDOTTSWSA-N	309.624	4.526	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1cc(Cl)ccc1F	753683099	MJFKWNWGXKIBJI-IZZDOVSWSA-N	305.761	4.639	50	20	DJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(C)o2)cc1	7167560	OAQZMKVIRJKUML-KWWJGWKXSA-N	308.381	4.647	50	20	DJGD	
CC(C)CCO[C@H](CBr)c1ccc(Cl)cc1	71125317	NPDKFVIPJHJDPK-CYBMUJFWSA-N	305.643	4.839	50	20	DJGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1cccc(-c2ccccn2)c1	747692085	YUPWDKDWEDBHFV-ATVHPVEESA-N	304.393	4.661	50	20	DJGD	
CCC[C@@H]1CCCCN1C(=O)CCCC[C@@H]1CCSS1	754594508	HYDGTTKAFNGONW-HUUCEWRRSA-N	315.548	4.882	50	20	DJGD	
CCSc1cccc(/C=C(/C#N)c2nc(C)c(C)s2)c1	769740487	FWJFWFOWUQKCPI-ZSOIEALJSA-N	300.452	4.936	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccn(C(C)C)c1C	816782072	ITMPWHBJZQUPGD-UHFFFAOYSA-N	313.445	4.566	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(F)c3cccnc23)s1	164650761	ADXBXIIJXANFJC-UKTHLTGXSA-N	322.364	4.534	50	20	DJGD	
C=CCCC[C@@H](C)NC(=O)CCCC[C@@H]1CCSS1	182595817	SKAPOVPIMAHTKU-ZIAGYGMSSA-N	301.521	4.562	50	20	DJGD	
Cc1ccc(F)cc1/C=C(/C#N)C(=O)c1c(C)[nH]c2ccccc12	777869858	PWHYQCFVSPJLPQ-DHDCSXOGSA-N	318.351	4.714	50	20	DJGD	
C/C(C=NNC(=O)c1ccc2ccccc2c1)=C\c1ccccc1	917546819	JAEQJDHYQPPLMZ-UMXGBWRASA-N	314.388	4.659	50	20	DJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cc1	59270082	GCWWWPUCTFZOSD-RIYZIHGNSA-N	320.779	4.920	50	20	DJGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccc(-c2ccccc2)o1	255134459	ZAVIUCSRMUOEDF-PTNGSMBKSA-N	303.317	4.638	50	20	DJGD	
N#CCCCNCc1cccc(S(F)(F)(F)(F)F)c1	921984188	GWGBRRGGHDDKFD-UHFFFAOYSA-N	300.296	4.737	50	20	DJGD	
Cc1cccc(Oc2ccc(Cl)cc2NC(=O)CCl)c1	1253968428	QHXAPRFFIHSMQD-UHFFFAOYSA-N	310.180	4.618	50	20	DJGD	
N#C/C(=C/c1cnc(C2CCCC2)s1)C(=O)c1ccccc1	767708500	WMWUCAKYVCLUMX-GDNBJRDFSA-N	308.406	4.591	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(Cl)c(C)c2)s1	779703478	IADMBEOAXJJTED-MDWZMJQESA-N	301.798	4.808	50	20	DJGD	
CCc1oc2ccccc2c1/C=C(\C#N)C(=O)c1ccccc1F	8202218	JDAVNIOEQXANAV-ACCUITESSA-N	319.335	4.924	50	20	DJGD	
Cc1ncsc1/C=C(/C#N)c1nc(-c2ccccc2)cs1	255296435	VYWQPJATQQNBEM-QPEQYQDCSA-N	309.419	4.639	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(-c2ccc(F)cc2)o1	741470056	PQLZCXYOQFMLBI-LKKYZFDUSA-N	311.356	4.998	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cccc(-c2cccnc2)c1	794874948	PYDVSKLWUGMKJA-PDGQHHTCSA-N	304.393	4.661	50	20	DJGD	
N#C/C(=C/c1ccc(Cl)s1)C(=O)c1cccc(Cl)c1	834733232	AHLBXJVMZOIYOC-YFHOEESVSA-N	308.189	4.845	50	20	DJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccc(OCC(C)C)cc1	1116004372	LSEXDRKUKLLJFU-PDGQHHTCSA-N	319.404	4.820	50	20	DJGD	
Cc1ccccc1-c1nnc(CCCC[C@H]2CCSS2)o1	1348874327	IVVFEHAMTRBMMK-ZDUSSCGKSA-N	320.483	4.912	50	20	DJGD	
N#C/C(=C\c1ccc(C(F)(F)F)cc1)C(=O)c1ccc(F)cc1	18918081	POLVMJNXWVVCLI-UKTHLTGXSA-N	319.257	4.634	50	20	DJGD	
CC[C@@H]1CCC[C@H](NC(=O)CCCC[C@@H]2CCSS2)C1	740845766	NETPUBAOGBEHTP-QLFBSQMISA-N	315.548	4.786	50	20	DJGD	
N#C/C(=C\c1cc(F)cc(C(F)(F)F)c1)C(=O)c1ccccc1	772802087	KLMALRQYEQSJDT-AWNIVKPZSA-N	319.257	4.634	50	20	DJGD	
N#C/C(=C/c1ccc2cnccc2c1)C(=O)c1ccc(Cl)s1	780004200	IAUPWWORJQGDTL-ZSOIEALJSA-N	324.792	4.740	50	20	DJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3cccc(Cl)c3)c[nH]c2c1	920068402	NLMVHUXJINPWDO-ZSOIEALJSA-N	320.779	4.920	50	20	DJGD	
Cc1cccc(/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)c1C	731157332	VPRVORFEOXYXNE-BOPFTXTBSA-N	314.388	4.883	50	20	DJGD	
Cc1nc(/C(C#N)=C/c2cccc3c2OC(C)(C)C3)sc1C	741474836	SETWVVNOEZQKIK-OVCLIPMQSA-N	310.422	4.538	50	20	DJGD	
N#C/C(=C\c1ccc(C(F)(F)F)cc1)C(=O)C1CCCCC1	767713791	MHWXZRXIZLDILS-GXDHUFHOSA-N	307.315	4.762	50	20	DJGD	
O=C(CCCC[C@H]1CCSS1)Nc1cccc2cc[nH]c12	772727457	DPSFDMIVBNKXFS-ZDUSSCGKSA-N	320.483	4.821	50	20	DJGD	
N#C/C(=C\c1cc(C(F)(F)F)ccc1F)C(=O)C1CCCC1	781553477	SPUAGBXJBBWQCQ-KPKJPENVSA-N	311.278	4.511	50	20	DJGD	
CC(C)Sc1cccc(Cl)c1/C=C(/C#N)c1ccncn1	782351464	LMBFRRJOZVVQPN-WQLSENKSSA-N	315.829	4.695	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cc(C)c2ncccc2c1	783706777	DQZQHOTYVIZKLV-YBEGLDIGSA-N	318.401	4.703	50	20	DJGD	
CCc1cccc(C)c1NNC(=O)c1cc(C)c(C)cc1Cl	799754914	QUYFKEZTNZXOQD-UHFFFAOYSA-N	316.832	4.585	50	20	DJGD	
ClCCCOc1ccc(CNCc2ccccc2Cl)cc1	811472432	GLVCWUXLRNPJBS-UHFFFAOYSA-N	324.251	4.638	50	20	DJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)o1	773144116	IAYAZIRSVQQYTR-IZZDOVSWSA-N	323.245	4.536	50	20	DJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2ccc3c(c2)CCC3)c1	1329665148	AXESWFWKQSUXBG-NDENLUEZSA-N	301.389	4.582	50	20	DJGD	
CCC(=NNC(=O)c1cc(C)nc2ccccc12)C1CCCCC1	750918968	SOQQBTLTUUXPRW-UHFFFAOYSA-N	323.440	4.619	50	20	DJGD	
N#C/C(=C\c1ccc(-c2ccccc2)o1)C(=O)c1cccc(F)c1	772173022	YEIMAKRSBPQPLC-FOWTUZBSSA-N	317.319	4.876	50	20	DJGD	
CCOc1ccc(/C=C(/C#N)c2nc(C3CC3)cs2)cc1F	843266717	YSGJZMRPDBEZQS-QPEQYQDCSA-N	314.385	4.622	50	20	DJGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccc(F)cc1C(F)(F)F	178765310	OUURBLYDFMKMGF-WDZFZDKYSA-N	323.245	4.536	50	20	DJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccsc2Cl)c(C)c1	790101660	QAIWGSTYAADDJU-JYRVWZFOSA-N	316.813	4.564	50	20	DJGD	
N#C/C(=C\c1cccc(Oc2ccccc2)c1)C(=O)c1ccoc1	798230918	VAQZVDFOHSIYSK-GZTJUZNOSA-N	315.328	4.862	50	20	DJGD	
C[C@@H](C=NNC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1	916324982	XPUNFAALQHCIGB-HNNXBMFYSA-N	308.425	4.503	50	20	DJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3ccc(Cl)cc3)c[nH]c2c1	920067728	AELVHFGWKNGFFB-NTEUORMPSA-N	320.779	4.920	50	20	DJGD	
C=CCOc1ccc(/C=C(/C#N)C(=O)[C@@H](C)CCC)cc1Cl	741470023	OVSILKDUUBEIAX-OJNRTJSBSA-N	317.816	4.817	50	20	DJGD	
Cc1cccc2cc(C(=O)NNc3ccc(Cl)cc3)sc12	809730358	KTWKVWKIQRMDIN-UHFFFAOYSA-N	316.813	4.620	50	20	DJGD	
CC(C)C(=O)/C(C#N)=C\c1c(OC(F)F)ccc2ccccc12	915991986	QAXPHGDYKCAQLD-LCYFTJDESA-N	315.319	4.573	50	20	DJGD	
O=C(c1cccc(CCl)c1)N1CCC(c2ccsc2)CC1	1338962055	ZIBMASAGOZGAKQ-UHFFFAOYSA-N	319.857	4.507	50	20	DJGD	
CC(C)C[C@@H]1CCCN1C(=O)CCCC[C@@H]1CCSS1	128617154	JNMQPQLBCBMWBE-LSDHHAIUSA-N	315.548	4.738	50	20	DJGD	
CCCCCCCC(=O)NNc1cccc(C(F)(F)F)c1	727758751	HZNLSNBAMBBIEC-UHFFFAOYSA-N	302.340	4.509	50	20	DJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1F	731489809	MZMNDLJYBKSZRO-OQLLNIDSSA-N	318.351	4.714	50	20	DJGD	
CN(C(=O)/C(C#N)=C\c1csc2ccccc12)C1CCCCC1	732716779	ZJGAIPBVFZZAPL-KAMYIIQDSA-N	324.449	4.599	50	20	DJGD	
N#C/C(=C/c1ccccc1C(F)(F)F)C(=O)c1cccc(F)c1	772172524	SAILCMIIHBFZRC-JYRVWZFOSA-N	319.257	4.634	50	20	DJGD	
CC(=O)c1cccc(NC(=O)CCCC[C@H]2CCSS2)c1	20903422	CFYRYLOUQWQAES-HNNXBMFYSA-N	323.483	4.542	50	20	DJGD	
CCC(CC)N(C(=O)CCCC[C@H]1CCSS1)C1CC1	728520724	QELMSSXWVHQUGD-HNNXBMFYSA-N	315.548	4.880	50	20	DJGD	
O=C(CCCC[C@@H]1CCSS1)OCCc1cccs1	743476351	JZECPSDXCXGAMK-CYBMUJFWSA-N	316.513	4.548	50	20	DJGD	
Cc1cc(/C=C(/C#N)C(=O)c2cccc(Cl)c2)c(C)n1C1CC1	810219501	SYLWUDKVZCEGCQ-SXGWCWSVSA-N	324.811	4.883	50	20	DJGD	
C/C(=C/c1ccc(Cl)cc1)C(=O)NNc1ccc(Cl)cc1	810683151	ADOCXAUZMPEMAW-KHPPLWFESA-N	321.207	4.540	50	20	DJGD	
CCc1ccc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)cc1	812246392	KLNNTBMGQVSCFI-NTEUORMPSA-N	302.299	4.727	50	20	DJGD	
COc1cccc(C(=O)/C(C#N)=C/c2ccc3ccccc3c2)c1	6284577	YJVBMSVMNRSSSL-XDHOZWIPSA-N	313.356	4.638	50	20	DJGD	
Cc1ccc(-c2nc(/C=C(\C#N)C(=O)C(C)(C)C)cs2)cc1	60421438	RJCBFDAULSYRNP-NTEUORMPSA-N	310.422	4.641	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(F)c(Br)c1	741470754	UVHOGIYZPAYIQR-BZPKPHBRSA-N	324.193	4.500	50	20	DJGD	
CCc1ccc(/C=C(/C#N)C(=O)c2c(Cl)cccc2Cl)o1	760209207	GLDYTINPBRARDU-NTMALXAHSA-N	320.175	4.939	50	20	DJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1cscc1Cl	771841646	POZGZYIORWFLRO-SDQBBNPISA-N	316.813	4.564	50	20	DJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2cc(Cl)cs2)c1	780006178	XNURSOMPGADNMX-AWNIVKPZSA-N	301.798	4.808	50	20	DJGD	
Cc1cc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)cnc1Cl	812246478	MMKSMAWWFISVOI-VZUCSPMQSA-N	323.705	4.521	50	20	DJGD	
CC(C)(C)[Si](C)(C)OCc1csc(-c2cccnc2)n1	864537783	NFGFHRNGODZWHP-UHFFFAOYSA-N	306.507	4.727	50	20	DJGD	
Cc1ccc([C@@H](C)C(=O)NN(c2ccccc2)c2ccccc2)o1	742519198	JPRUOIUWRIFJIQ-MRXNPFEDSA-N	320.392	4.561	50	20	DJGD	
O=C(CCCC[C@H]1CCSS1)OCCc1cccs1	743476352	JZECPSDXCXGAMK-ZDUSSCGKSA-N	316.513	4.548	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(C)c(Cl)c2)s1	766291320	XMYBGQWKQZMQRL-NTUHNPAUSA-N	301.798	4.808	50	20	DJGD	
O=C(/C=C/c1ccc(OCCCCl)cc1)c1ccsc1	811689424	CXDCVYFWTGEVOF-QPJJXVBHSA-N	306.814	4.652	50	20	DJGD	
CC[C@@H]1CCCC[C@H]1NC(=O)CCCC[C@H]1CCSS1	915084418	JOYGUBVGJJIPDF-QLFBSQMISA-N	315.548	4.786	50	20	DJGD	
CCCn1cccc1/C=C(/C#N)C(=O)c1ccc(C(C)(C)C)cc1	918184842	SUGYHZRTOXDRKQ-VKAVYKQESA-N	320.436	4.985	50	20	DJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2cc(C)n(C3CC3)c2C)c1	918733102	ICLZJHVHOVBGLC-YBFXNURJSA-N	318.420	4.847	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccccc1OC1CCCC1	726118889	RWUWVRDVQGWUQV-LGMDPLHJSA-N	311.425	4.920	50	20	DJGD	
COc1cc(Cl)c(/C=C(\C#N)C(=O)CC(C)C)cc1Cl	753888654	AGKMKQGQLMFTGN-VZUCSPMQSA-N	312.196	4.524	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(F)cc(Cl)c1	812767816	VMBFIXUVLHZDRS-UHFFFAOYSA-N	320.795	4.668	50	20	DJGD	
Cc1csc(C(=O)NN=C2CCC(c3ccccc3)CC2)c1	863156095	LKIXUDZNRVQZDN-UHFFFAOYSA-N	312.438	4.500	50	20	DJGD	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)c2sccc2C)cc1	915989598	CCMDCWJWEMMZDQ-FOWTUZBSSA-N	324.449	4.693	50	20	DJGD	
CCCOc1cccc(/C=C(/C#N)C(=O)c2sccc2C)c1	917146869	YWMVJMUWOPZOIS-GDNBJRDFSA-N	311.406	4.635	50	20	DJGD	
COc1ccccc1/C=C(/C#N)c1nc2cc(F)ccc2s1	730150017	FVBZLEHQNXKLQS-WQLSENKSSA-N	310.353	4.508	50	20	DJGD	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1ccco1	732577599	NYFHXBCYIFAQEM-RAXLEYEMSA-N	323.735	4.983	50	20	DJGD	
COC[C@@H](C)CNCc1cccc(S(F)(F)(F)(F)F)c1	840973581	QJMBJNUTCJDBBC-JTQLQIEISA-N	319.339	4.716	50	20	DJGD	
N#C/C(=C/c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1	915841629	SDSLDRMHPHDLRZ-JYRVWZFOSA-N	302.160	4.783	50	20	DJGD	
N#C/C(=C/c1cccc(C#N)c1)c1nc2cc(Cl)ccc2s1	96998128	GZJAKFVBUSRUGI-QPEQYQDCSA-N	321.792	4.886	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/c1cnc(C2CCCC2)s1	128795213	MMMRTEBKDKHSTP-NTEUORMPSA-N	302.443	4.713	50	20	DJGD	
CCCc1cccc(/C=C(/C#N)c2nc3ccccc3n2C)c1	773910016	VAQPHDJYHWRJID-LGMDPLHJSA-N	301.393	4.590	50	20	DJGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(/C#N)C(=O)c2cccc(Cl)c2)o1	810219968	YWTSKLCSCUGHJR-FPODFMBDSA-N	311.768	4.846	50	20	DJGD	
CC(C)=CCC/C(C)=C\C=NNC(=O)c1cccc(Cl)c1	916278256	LAPVBLYZEHARKB-IOQKDPEHSA-N	304.821	4.748	50	20	DJGD	
O=C(CCCC[C@H]1CCSS1)N1CC[C@@H]1c1ccccc1	917140284	IBXUAHABHUKVJF-JKSUJKDBSA-N	321.511	4.674	50	20	DJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ncc(C(C)(C)C)s1	1321159609	SACQQCSFJYZJLW-LCYFTJDESA-N	310.422	4.539	50	20	DJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccc(F)cc2C)c(C)c1	131074330	LDKQSZYRINRESY-YVLHZVERSA-N	322.383	4.605	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C[C@@H]1C=CCC1	175630885	OYMMXTCSMGYOFZ-CYBMUJFWSA-N	314.454	4.679	50	20	DJGD	
Cc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1	211183224	PZBLTLHFNDDYNC-GDNBJRDFSA-N	310.784	4.503	50	20	DJGD	
Cc1cccc([C@@H](C)C(=O)NNc2c(Cl)cccc2Cl)c1	763624921	QTPQAPMQYGOQNQ-LLVKDONJSA-N	323.223	4.549	50	20	DJGD	
O=C(CCCC[C@H]1CCSS1)OC/C(Cl)=C\Cl	763897406	SLGWSRFNDAEYMO-PCYYEKQGSA-N	315.287	4.563	50	20	DJGD	
Cc1ccoc1/C=C(/C#N)c1nc(-c2ccc(C#N)cc2)cs1	742349399	OBRUZUNBILSYGK-NVNXTCNLSA-N	317.373	4.647	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2csc3ccccc23)cc1	764886326	PPMJUCBYEWSLAX-XNTDXEJSSA-N	303.386	5.000	50	20	DJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1ccc(Cl)cc1)c1ccccc1	787144766	MVJUSRPNQHIAEU-QIPRVMPFSA-N	324.811	4.514	50	20	DJGD	
Cc1csc(/C(C#N)=C\c2nc(-c3ccccc3)cs2)n1	797406096	NYWPDSQQQYMCJX-QPEQYQDCSA-N	309.419	4.639	50	20	DJGD	
CC(/C=C(/C#N)C(=O)C(C)(C)C)=C\c1ccccc1OC(F)F	811685365	PYDUJPINHIKUFJ-FNIWZSMSSA-N	319.351	4.756	50	20	DJGD	
N#C/C(=C/c1ccc(Cl)cc1)C(=O)c1c[nH]c2cc(F)ccc12	915991145	WIPGBWFYOTUEJJ-GHXNOFRVSA-N	324.742	4.750	50	20	DJGD	
CC(C)=CCC/C(C)=C\C=NNC(=O)c1ccc2ccccc2n1	916242947	PGTNNIZHHNUKAS-QJMCSQRZSA-N	321.424	4.643	50	20	DJGD	
CC(C)(C#N)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	180331625	UMENVNUYKTXXCI-UHFFFAOYSA-N	314.279	4.832	50	20	DJGD	
C=CCOc1cccc(/C=C(\C#N)C(=O)c2cccc(C)c2C)c1	727655517	VVZSWRGRTNDAQG-LDADJPATSA-N	317.388	4.658	50	20	DJGD	
CCCN(N=C/C=C/c1ccc(F)c(F)c1)C(=O)OC(C)(C)C	794996522	HBWZASFBSJFFOP-BBNVZJRASA-N	324.371	4.611	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cnc(-c2ccccc2)s1	172692777	VENQAGIWORVTEQ-QQFZQELXSA-N	310.422	4.722	50	20	DJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2cc(C)ccc2C)c(C)c1	211526763	VOOVIURPGWMJGD-ODLFYWEKSA-N	318.420	4.774	50	20	DJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(-c2ccc(F)cc2C)o1	734304857	YOAOTOBEVMUSJA-LQELWAHVSA-N	311.356	4.916	50	20	DJGD	
Cc1cc(/C(C#N)=C\c2ccc(F)c(Cl)c2)ccc1[N+](=O)[O-]	774560495	ZCESJNBNFYCNAO-QPEQYQDCSA-N	316.719	4.760	50	20	DJGD	
CCCN(N=C/C=C\c1ccc(F)c(F)c1)C(=O)OC(C)(C)C	794996524	HBWZASFBSJFFOP-QPXAEHOUSA-N	324.371	4.611	50	20	DJGD	
Cc1ccc(N(C)C(=O)CCCC[C@H]2CCSS2)cc1C	918657909	JNSLPNGYBUJHNF-INIZCTEOSA-N	323.527	4.980	50	20	DJGD	
Cc1csc(/C(C#N)=C/c2cnc(C3CCCC3)s2)n1	128743632	WXOPEARMRKIJBW-WUXMJOGZSA-N	301.440	4.630	50	20	DJGD	
Cc1cc(C)c(NNC(=O)C[C@H](C)c2ccccc2C)c(C)c1	743765479	SCZFFNNNKOLOSF-HNNXBMFYSA-N	310.441	4.557	50	20	DJGD	
CC(C)(C)c1ccccc1C(=O)NNc1ccc(Cl)c(F)c1	771598198	XZNXXSXLEIMLFR-UHFFFAOYSA-N	320.795	4.534	50	20	DJGD	
COc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)C1CCCC1	781553728	WMQJHYDSXUGPTC-WUXMJOGZSA-N	324.207	4.668	50	20	DJGD	
Cc1c(C(=O)/C=C\c2cccc(CCl)c2)cnn1C(C)(C)C	799892042	JYBYNWYHNGRTNN-HJWRWDBZSA-N	316.832	4.581	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccoc1C(C)C	812765138	XHTQMNBIGQYZOW-UHFFFAOYSA-N	300.402	4.592	50	20	DJGD	
C[C@H](CC(C)(C)C#N)OC(=O)CCCC[C@@H]1CCSS1	851211846	CYSZPEXEVZGEFH-CHWSQXEVSA-N	315.504	4.572	50	20	DJGD	
CCCOc1ccc(/C=C(/C#N)C(=O)c2ccccc2C)cc1	1317705353	YUMSFRMDCNLWKE-LGMDPLHJSA-N	305.377	4.574	50	20	DJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1c(F)cccc1F	212151639	NIXHPQDFFDPYST-XFXZXTDPSA-N	322.314	4.544	50	20	DJGD	
N#CCCCC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	292019662	ZEGXLEJEXOWXHB-UHFFFAOYSA-N	314.279	4.976	50	20	DJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cnc(-c2ccc(C)cc2)s1	734304721	UEOITXARAPOSCU-NCPSJORJSA-N	310.422	4.641	50	20	DJGD	
Cc1csc(/C(C#N)=C/c2nc(-c3ccccc3)cs2)n1	797406095	NYWPDSQQQYMCJX-NTUHNPAUSA-N	309.419	4.639	50	20	DJGD	
CC(C)(C)c1ccc(C(=O)NN=C2CC(c3ccccc3)C2)cc1	814741647	JKHUJBPCRFRFCY-UHFFFAOYSA-N	320.436	4.648	50	20	DJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2cc(C)ccc2C)c1C	915857715	YEMCBLVCCIQJAZ-UNOMPAQXSA-N	318.420	4.698	50	20	DJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)[C@H]1C[C@@H]1F	1349506700	OUWPKCRFWOOJFK-IUCAKERBSA-N	305.243	4.641	50	20	DJGD	
Cc1csc(/C(C#N)=C/c2ccc(OCCC(C)C)cc2)n1	8079347	JWMKZWWMINJYPU-MHWRWJLKSA-N	312.438	4.941	50	20	DJGD	
N#C/C(=C/c1cccc(Cl)c1Cl)c1nc2ccccc2[nH]1	51102943	XGXLHWXJIZOYPE-FLIBITNWSA-N	314.175	4.934	50	20	DJGD	
Cc1ccc(NNC(=O)[C@@H](c2cccc(Cl)c2)C(C)C)cc1	749201167	XKNXFBVLSVYEKY-QGZVFWFLSA-N	316.832	4.531	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cc(C)ccc1OC(F)F	794879563	SGHGWZDBXCASTO-UKTHLTGXSA-N	307.340	4.509	50	20	DJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2ccccc2OCC)cc1	915851972	HFQXBWUITVZJRH-XMHGGMMESA-N	319.404	4.828	50	20	DJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2Cl)c(C)c1	210451578	PNZJSXJDEWZCOK-GDNBJRDFSA-N	310.784	4.503	50	20	DJGD	
CC(=O)CCC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	273961668	OTTHUECJMHXULW-UHFFFAOYSA-N	317.279	4.652	50	20	DJGD	
CC[C@@H](C=NNC(=O)c1cccc2ccccc12)c1ccccc1	814854831	ZZMGKFJLNBHCPW-INIZCTEOSA-N	316.404	4.749	50	20	DJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3ccccc3C)c[nH]c2c1	920068194	LJHJHBWSHUHWSX-MHWRWJLKSA-N	300.361	4.575	50	20	DJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1cccc2ccsc12	752653034	YUNSIBQUTPIJKS-UVTDQMKNSA-N	322.364	4.586	50	20	DJGD	
N#C/C(=C/c1c(F)cccc1Cl)C(=O)c1cccc(Cl)c1	810217179	XTWRCBXELAQKAZ-FLIBITNWSA-N	320.150	4.922	50	20	DJGD	
O=C(CCl)c1c(-c2cccc(Cl)c2)[nH]c2ccccc12	20284103	XWNHKPOBELLKFJ-UHFFFAOYSA-N	304.176	4.910	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccccc2OC(C)C)s1	170933562	HORFPMQOVDYANE-XNTDXEJSSA-N	311.406	4.634	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(OCC3CC3)cc2)s1	790098822	AOUZSPAEUWLSMU-MHWRWJLKSA-N	323.417	4.635	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cscc2C(F)(F)F)cc1	811627994	KJCCYVHKYQDRBM-WUXMJOGZSA-N	321.323	4.865	50	20	DJGD	
Cc1csc(/C(C#N)=C\c2ccc(SC(F)F)cc2)n1	180448005	VQBKWKYUUISIPT-WDZFZDKYSA-N	308.378	4.830	50	20	DJGD	
N#C/C(=C/c1ccc2ccccc2c1)C(=O)c1cccc(F)c1	772179910	SUXAQWDIDDLFRC-WQRHYEAKSA-N	301.320	4.769	50	20	DJGD	
Cc1cc(/C(C#N)=C\c2ccc(OC(C)C)cc2)ccc1[N+](=O)[O-]	774557919	GNZKHXWWIARWKG-BOPFTXTBSA-N	322.364	4.755	50	20	DJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2ccsc2Cl)c1	790101101	UPQCMCWRKWZOCG-ZSOIEALJSA-N	301.798	4.808	50	20	DJGD	
CCc1ccc(/C=C(/C#N)C(=O)c2ccc3ncccc3c2)cc1	794884106	GGHJOLJIAKFBSU-UNOMPAQXSA-N	312.372	4.587	50	20	DJGD	
CC(C)CC[C@@H]1CCCC1=NNC(=O)c1ccccc1Cl	1251531210	YTZWOWNFUUFHAS-ZDUSSCGKSA-N	306.837	4.662	50	20	DJGD	
Cc1csc(/C(C#N)=C/c2ccccc2OC2CCCC2)n1	194335558	KIHAKCFWDDZBPZ-XNTDXEJSSA-N	310.422	4.837	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(-c2ccc(F)cc2)o1	726118817	QYWSSFNRHXVSMU-PTNGSMBKSA-N	311.356	4.998	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(-c2ccc(F)cc2)o1	726118818	QYWSSFNRHXVSMU-RVDMUPIBSA-N	311.356	4.998	50	20	DJGD	
CC(C)CC[C@H]1CCCC1=NNC(=O)c1ccc2ccccc2n1	727251799	HEFPOVJDHFOVGF-MRXNPFEDSA-N	323.440	4.557	50	20	DJGD	
Cc1ccc(F)cc1/C=C(/C#N)C(=O)c1ccc(Cl)s1	783687087	FPQMMEMDFDHTLA-WDZFZDKYSA-N	305.761	4.639	50	20	DJGD	
O=C(CCCC[C@H]1CCSS1)OCc1ccccc1F	786590692	WQGCWSMHDAMWMC-ZDUSSCGKSA-N	314.447	4.583	50	20	DJGD	
N#C/C(=C\c1ccc2c(c1)CCCC2)c1cnc2ccccc2n1	792890876	QUFDVDCTWQGAFH-LDADJPATSA-N	311.388	4.573	50	20	DJGD	
CO[C@H](C)CC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	183392450	YQAPIXABQRXGFP-MRVPVSSYSA-N	319.295	4.708	50	20	DJGD	
Cc1ccc(/C=C(/C#N)C(=O)Nc2c(C)cc(C)cc2C)c(C)c1	213102602	CMPVPEQLBXVXFI-ODLFYWEKSA-N	318.420	4.774	50	20	DJGD	
CC[C@H](C)CN(CC)C(=O)CCCC[C@@H]1CCSS1	748437094	XMKNDORNUJXFMH-UONOGXRCSA-N	303.537	4.595	50	20	DJGD	
Cc1ccc(Cl)cc1C(=O)NNc1ccc(C(C)(C)C)cc1	780805851	DRCJAPXZYHPJDK-UHFFFAOYSA-N	316.832	4.703	50	20	DJGD	
CC(C)(C)c1ccc(NNC(=O)c2cc(F)cc(Cl)c2)cc1	780805941	KTSVFAHVLFWYND-UHFFFAOYSA-N	320.795	4.534	50	20	DJGD	
Cc1cccc(/C=C(/C#N)C(=O)c2ccc3ncccc3c2)c1C	794885824	WIUYEYHIPHNKEO-ODLFYWEKSA-N	312.372	4.642	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cnc(-c2ccccc2)s1	794954117	OSTLOVBGGRIPEL-GXDHUFHOSA-N	310.422	4.722	50	20	DJGD	
N#C/C(=C\c1sccc1Cl)c1cc(C(F)(F)F)ccn1	812246548	NZPXCEXZUVBNLQ-VMPITWQZSA-N	314.719	4.879	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1csc(C(F)(F)F)c1	863186449	YBXLFGLGKLGXMR-JTTRITNRSA-N	301.333	4.679	50	20	DJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(-c2ccccc2OC)cc1	741467205	LPRVOPJPOVNOBD-LUJRCDHRSA-N	319.404	4.884	50	20	DJGD	
Cc1cccc([C@@H](C)C(=O)NNc2ccc(Cl)cc2Cl)c1	748017981	AREXYIFLOGOTHZ-LLVKDONJSA-N	323.223	4.549	50	20	DJGD	
C[C@@H](C(=O)NNc1ccc(Cl)cc1)c1ccc2ccccc2c1	749275987	ANLRORIWFNIUFQ-CYBMUJFWSA-N	324.811	4.740	50	20	DJGD	
CC(C)Oc1ccc(/C=C(\C#N)c2nc(C3CC3)cs2)cc1	843272834	OCUSNKRXDAOEMG-OQLLNIDSSA-N	310.422	4.872	50	20	DJGD	
Cc1ccc([C@H](C)NC(=O)CCCC[C@@H]2CCSS2)cc1	105850762	AJGZCRKRAHGRSB-GOEBONIOSA-N	323.527	4.886	50	20	DJGD	
CC(C)CC[C@H]1CCCC1=NNC(=O)c1cc2c(s1)CCC2	727254758	YHBRRTHXTQBJRY-CYBMUJFWSA-N	318.486	4.559	50	20	DJGD	
N#C/C(=C/c1cscc1Cl)C(=O)c1cccc(Cl)c1	771837171	GSYUJAXAJFNREF-WMZJFQQLSA-N	308.189	4.845	50	20	DJGD	
COc1ccc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)cc1F	797399539	TYWZVKYFNHLWEW-GHXNOFRVSA-N	316.401	4.652	50	20	DJGD	
Cc1cc(C)cc(N(C)C(=O)CCCC[C@@H]2CCSS2)c1	918667853	NVEMSDYXONZXQL-MRXNPFEDSA-N	323.527	4.980	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccccc1OC1CCCC1	741473577	JHNPOHNIJITOKO-OVGFGYAMSA-N	311.425	4.920	50	20	DJGD	
CC[C@H](C)C[C@@H](C)NC(=O)CCCC[C@H]1CCSS1	742720142	QNMBZDCWUZDYNB-MJBXVCDLSA-N	303.537	4.641	50	20	DJGD	
Cc1cc(Cl)cc(C)c1/C=C(/C#N)C(=O)c1ccccc1F	776189176	BPSPAJBLOAFGIL-LCYFTJDESA-N	313.759	4.886	50	20	DJGD	
C=CCOc1ccc(/C=C(/C#N)C(=O)C2CCCC2)cc1Cl	781553547	ATLZVUXGSBZFTO-GDNBJRDFSA-N	315.800	4.571	50	20	DJGD	
N#C/C(=C\c1nccc2ccccc12)C(=O)c1ccc(Cl)s1	783687167	GSQRYNYREWWFED-FMIVXFBMSA-N	324.792	4.740	50	20	DJGD	
N#C/C(=C/c1ccccc1Cl)c1cc(C(F)(F)F)ccn1	812248396	LNHCWQHRVDHACD-XFFZJAGNSA-N	308.690	4.818	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1c(F)cccc1Cl	812763105	OYYASBZAOBQLOI-UHFFFAOYSA-N	320.795	4.668	50	20	DJGD	
N#C/C(=C/c1ccccc1-c1ccccc1)C(=O)Nc1ccccc1	917516295	RQZKGOWXCBOFPQ-CYVLTUHYSA-N	324.383	4.899	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C\c2ccc(N3CCCC3)cc2)n1	1252481343	GJAJWIYVNHCDIR-WJDWOHSUSA-N	323.465	4.931	50	20	DJGD	
Cc1ccc2nc(-c3ccc(NC=C(C#N)C#N)cc3)sc2c1	10334829	KTYZBQSVSHVZQH-UHFFFAOYSA-N	316.389	4.615	50	20	DJGD	
Cc1nc(/C(C#N)=C/c2nc(-c3ccccc3)cs2)sc1C	741475327	YEZRMCNVHGINQH-RIYZIHGNSA-N	323.446	4.948	50	20	DJGD	
CC(C)[C@@H](C)N(C(=O)CCCC[C@@H]1CCSS1)C1CC1	746517159	KUJULJCIQOHPRJ-UKRRQHHQSA-N	315.548	4.736	50	20	DJGD	
Cc1cccc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)c1C	812246765	UFPQOAOFVJXUMN-RIYZIHGNSA-N	302.299	4.781	50	20	DJGD	
O=C(CCCC[C@@H]1CCSS1)N1C2CCCC1CCC2	742122498	WAGYAXALBIGTIL-YMAMQOFZSA-N	313.532	4.634	50	20	DJGD	
COc1ccc(C)cc1/C=C(\C#N)c1ncc(C(C)(C)C)s1	797406022	NKQWTUUBNZNWHU-NTEUORMPSA-N	312.438	4.822	50	20	DJGD	
Cc1csc(/C(C#N)=C\c2ccc(F)cc2C(F)(F)F)n1	178765298	IXWQPEURFXVEQV-WMZJFQQLSA-N	312.291	4.674	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C\c2ccc3ncccc3c2)n1	747440890	WLSYKIHQPRAIAD-DHDCSXOGSA-N	305.406	4.879	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cccc(-c2ccccn2)c1	747694176	UEUAWBYOSDLCQS-QLENYVDCSA-N	304.393	4.661	50	20	DJGD	
Cc1cc2cc(/C=C(/C#N)c3nc4ccccc4[nH]3)oc2cc1C	749810057	IEOFZDLOIWEADE-GDNBJRDFSA-N	313.360	4.990	50	20	DJGD	
N#C/C(=C/c1ccc(SC(F)(F)F)cc1)C(=O)c1ccoc1	752891894	VUVIWWJNOZPYFH-GHXNOFRVSA-N	323.295	4.681	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc3cc(F)ccc3o2)cc1	764892070	RYXKLINLFLPOHH-GDNBJRDFSA-N	305.308	4.670	50	20	DJGD	
Cc1cccc(/C=C(\C#N)C(=O)c2ccc(Cl)s2)c1C	783687433	JBTWUARNTKRUQP-MDWZMJQESA-N	301.798	4.808	50	20	DJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc3occc3c2)c(C)c1	794686978	DDIKOPLXDNOPOM-GZTJUZNOSA-N	316.360	4.595	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cc(F)ccc1Br	794875489	WPSALLKGYIRMKA-YRNVUSSQSA-N	324.193	4.500	50	20	DJGD	
Cc1ccc2sc(C(=O)NNc3cccc(Cl)c3)cc2c1	810021666	KPYWMFXRQUICOL-UHFFFAOYSA-N	316.813	4.620	50	20	DJGD	
COc1cccc(C(=O)/C(C#N)=C\c2csc3ccccc23)c1	810206213	FLSPKWFSUTVDTH-ZROIWOOFSA-N	319.385	4.700	50	20	DJGD	
Cc1ccc([C@@H](C)NCc2ccc(OCCCCl)cc2)s1	811476705	YURRRGWWPDHSPN-CQSZACIVSA-N	323.889	4.915	50	20	DJGD	
Cc1cc(NNC(=O)c2sccc2C(C)C)ccc1Cl	928340983	KBEOWONDQZGTEX-UHFFFAOYSA-N	308.834	4.590	50	20	DJGD	
CCCCCCOc1ccc(C(=O)NN=C(CC)CC)cc1	9869827	NHPRSDIQPSIKOH-UHFFFAOYSA-N	304.434	4.552	50	20	DJGD	
Cc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1C	207693835	PXSVOWPZDSMMOB-GDNBJRDFSA-N	310.784	4.503	50	20	DJGD	
CCc1ccc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)s1	731155826	URJPHLGKDUQSEW-JLHYYAGUSA-N	320.417	4.890	50	20	DJGD	
C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)CCCC[C@H]1CCSS1	733182199	QGQIYPIIIFJZED-QPSCCSFWSA-N	315.548	4.641	50	20	DJGD	
C/C(=C\C(=O)NNc1cccc(Cl)c1)c1cccc(Cl)c1	749887105	GFKJLNNPBUKBER-DHZHZOJOSA-N	321.207	4.540	50	20	DJGD	
N#C/C(=C/c1csc(Cl)c1Cl)C(=O)c1ccsc1	761384987	JVHIMBWRRFXPIG-BAQGIRSFSA-N	314.218	4.906	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C/c3ccc(F)cc3Cl)[nH]c12	767715082	SQGJLNPNNBYHEQ-KPKJPENVSA-N	311.747	4.728	50	20	DJGD	
Cc1nc(/C(C#N)=C/c2ccc(OCC3CC3)cc2)sc1C	790220742	WKYAKMSOMIRBPN-CXUHLZMHSA-N	310.422	4.613	50	20	DJGD	
N#C/C(=C/c1sc2ccccc2c1Cl)C(=O)c1ccco1	732577754	YCXMYZHQSTVSNH-NTMALXAHSA-N	313.765	4.938	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cnc(C3CCC3)s2)cc1	764884630	GKDNTTNSOAOFIB-DHDCSXOGSA-N	308.406	4.509	50	20	DJGD	
CC[C@@H](CCO)NCc1cccc(S(F)(F)(F)(F)F)c1	921766258	DODRIJOXGKVEND-NSHDSACASA-N	319.339	4.595	50	20	DJGD	
CCc1ccc(/C=C(\C#N)C(=O)c2c(Cl)cccc2Cl)o1	760209202	GLDYTINPBRARDU-CSKARUKUSA-N	320.175	4.939	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(SC(F)F)cc1	781549374	DSFNXZUJTHGWCD-NASPGAHYSA-N	309.381	4.914	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1occc1C(C)C	812766218	BUYQRVYUXYABPV-UHFFFAOYSA-N	300.402	4.592	50	20	DJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3ccc(F)c(F)c3)c[nH]c2c1	920067896	FIUXOHJTPNXDAG-NTUHNPAUSA-N	322.314	4.544	50	20	DJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3ccc(C)cc3C)n2)cc1	212182276	AMPYEBBAOWSZEN-WQRHYEAKSA-N	315.376	4.726	50	20	DJGD	
CC(C)C(=NNC(=O)c1cc2ccccc2o1)C1CCCCC1	749822527	DPCORNDUVHEAJM-UHFFFAOYSA-N	312.413	4.755	50	20	DJGD	
O=C(Nc1scnc1-c1ccccc1)C1CCC(Cl)CC1	1263726543	LGTRTZFIZRCYDS-UHFFFAOYSA-N	320.845	4.546	50	20	DJGD	
CC[C@H]1CCCC(=NNC(=O)c2ccc(Cl)cc2Cl)C1	734978140	UUGTYBHKQFPIMC-JTQLQIEISA-N	313.228	4.679	50	20	DJGD	
CCCCCC[C@H](CC)C(=O)NNc1nccc2sccc12	740927923	WQLVMJRLNNLZKB-ZDUSSCGKSA-N	319.474	4.736	50	20	DJGD	
C/C(=C/C(=O)NNc1ccccc1Cl)c1cccc(Cl)c1	748331784	IVHYJFOLUBCRPG-LUAWRHEFSA-N	321.207	4.540	50	20	DJGD	
Cc1cc(C)cc(NNC(=O)CCCCCc2cccs2)c1	748368449	WIQRFIUYLXRDEQ-UHFFFAOYSA-N	316.470	4.611	50	20	DJGD	
Cc1ccccc1-c1ccc(CN(C(=O)CCl)C(C)C)s1	1319674866	SHSLKNPYKZAYCH-UHFFFAOYSA-N	321.873	4.699	50	20	DJGD	
CC(C)C(=O)/C(C#N)=C/c1ccc(OCc2cccc(F)c2)cc1	97152354	MYQBTGVYWOYZIA-LICLKQGHSA-N	323.367	4.537	50	20	DJGD	
C[C@@H](c1ccco1)N(C)C(=O)CCCC[C@H]1CCSS1	252157620	HJLGWXLWOTWYGT-STQMWFEESA-N	313.488	4.513	50	20	DJGD	
CC(C)CC[C@@H]1CCCC1=NNC(=O)c1ccc2ccccc2n1	727251798	HEFPOVJDHFOVGF-INIZCTEOSA-N	323.440	4.557	50	20	DJGD	
Cc1ccnc2[nH]c(/C(C#N)=C/c3ccc(C(C)(C)C)cc3)nc12	741474680	YDXMRXQGKKRVBW-RVDMUPIBSA-N	316.408	4.628	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C\c3ccc(F)cc3Cl)[nH]c12	767715061	SQGJLNPNNBYHEQ-GHXNOFRVSA-N	311.747	4.728	50	20	DJGD	
N#C/C(=C/c1ccc(OCC2CC2)cc1)C(=O)C1CCCCC1	790100016	KXIBTEDXBGONDB-PDGQHHTCSA-N	309.409	4.532	50	20	DJGD	
Cc1nn(C(C)C)c(C)c1C(=O)/C=C/c1cccc(CCl)c1	799892392	HKLQOBRLPIBSST-CMDGGOBGSA-N	316.832	4.716	50	20	DJGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(-c2cccc(F)c2F)o1	790101813	STVALHGBSCNGSD-LUAWRHEFSA-N	315.319	4.747	50	20	DJGD	
CC(C)(F)C(=O)/C(C#N)=C\c1ccc(SC(F)(F)F)cc1	834446928	GTXZTQFNZNYZIQ-YFHOEESVSA-N	317.307	4.523	50	20	DJGD	
CC(C)C(=NNC(=O)c1cc2c(s1)CCCCCC2)C1CC1	750929864	CSZAPGNHXIMOQK-UHFFFAOYSA-N	318.486	4.559	50	20	DJGD	
N#C/C(=C/c1cc(F)cc(C(F)(F)F)c1)C(=O)c1ccccc1	772802090	KLMALRQYEQSJDT-MLPAPPSSSA-N	319.257	4.634	50	20	DJGD	
C[C@@H](C#N)CN(C)Cc1cccc(S(F)(F)(F)(F)F)c1	891716384	PPXGYFGAKSOOGN-JTQLQIEISA-N	314.323	4.935	50	20	DJGD	
C[C@H](O)CCN(C)Cc1cccc(S(F)(F)(F)(F)F)c1	892064834	DOLQBPDXXUSZAR-JTQLQIEISA-N	319.339	4.547	50	20	DJGD	
CCSc1ccc(Cl)cc1C(=O)NNc1cccc(C)c1	84383712	TWZNJPVFXGLDCL-UHFFFAOYSA-N	320.845	4.517	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/c1cccc(OC2CCCC2)c1	726118490	NJTCGYBZQCXRSV-SFQUDFHCSA-N	311.425	4.920	50	20	DJGD	
N#C/C(=C\c1cc(F)c(F)c(F)c1)C(=O)c1cccc(Cl)c1	727973997	FKBFTDWKFIYKQE-NYYWCZLTSA-N	321.685	4.547	50	20	DJGD	
CN(c1ccccc1)c1ccc(/C=C(/C#N)c2ccccn2)cc1	915840952	DRIOFSWIDPDNCN-SDXDJHTJSA-N	311.388	4.914	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(C(C)C)c([N+](=O)[O-])c1	726118738	PXDGEZOIRKDVGQ-OQLLNIDSSA-N	314.385	4.630	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc2cccc(C)c2o1	812769347	CGDBPKJGYJYASN-UHFFFAOYSA-N	322.408	4.930	50	20	DJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1cccc(Cl)c1	211473879	QFWDWZXPRJKUJC-DHDCSXOGSA-N	310.784	4.503	50	20	DJGD	
COc1cccc(/C=C(/C#N)c2nc3cc(F)ccc3s2)c1	730148499	HIZDODDPOLKZSR-GHXNOFRVSA-N	310.353	4.508	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cccc3c2OC(C)(C)C3)s1	737444043	NHSJBYGZGWWRBZ-OQLLNIDSSA-N	323.417	4.560	50	20	DJGD	
N#C/C(=C/c1nccc2ccccc12)C(=O)c1cc2ccccc2o1	740765409	YXHSFBGJHYSDSH-WJDWOHSUSA-N	324.339	4.771	50	20	DJGD	
Cc1ccc(-c2csc(/C(C#N)=C\c3ccc(C)nc3)n2)cc1	764886778	OGWAEZXGAWVTRL-MFOYZWKCSA-N	317.417	4.886	50	20	DJGD	
CC(C)c1ccccc1NC(=O)[C@H](Br)C(C)(C)C	781068637	OHEYBJLINDDGIE-ZDUSSCGKSA-N	312.251	4.558	50	20	DJGD	
N#C/C(=C/c1ccc(Cl)s1)c1cc(C(F)(F)F)ccn1	812246665	RBGXWABNYODMCB-YVMONPNESA-N	314.719	4.879	50	20	DJGD	
CCOc1ccc(/C=C(/C#N)c2nc(C3CC3)cs2)c(C)c1	849177966	ATKHUKNEGHFXMS-DHDCSXOGSA-N	310.422	4.792	50	20	DJGD	
CSc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1	33362182	ZFVMLFIRGQULIV-WJDWOHSUSA-N	322.433	4.571	50	20	DJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2cc(C)ccc2F)c(C)c1	116608930	JNFLSMKPSOTDCF-YVLHZVERSA-N	322.383	4.605	50	20	DJGD	
N#C/C(=C/c1ccc(-c2ccccc2)cc1)C(=O)Nc1ccccc1	213140186	IGMXODLYKDXCNT-HKWRFOASSA-N	324.383	4.899	50	20	DJGD	
Cc1cc(F)ccc1/C=C(/C#N)C(=O)c1c[nH]c2cc(F)ccc12	750900539	MVKTXJIGAVJYNX-QPEQYQDCSA-N	322.314	4.544	50	20	DJGD	
Cc1ccc(-c2ncc(/C=C(/C#N)C(=O)c3ccoc3)s2)cc1	806558139	TUSNPEGGHWCVQV-NVNXTCNLSA-N	320.373	4.501	50	20	DJGD	
CC(C)(C#N)CNCc1cccc(S(F)(F)(F)(F)F)c1	893551807	PEONAZQXNRDYKL-UHFFFAOYSA-N	314.323	4.983	50	20	DJGD	
N#C/C(=C/c1ccc(F)c(F)c1)c1nc2cc(F)ccc2s1	730150944	NOWMAGMBJMBBAB-YHYXMXQVSA-N	316.307	4.778	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc2c(c1)CCC(C)(C)O2	741470109	QHYBXHRGJVTRED-RFRKOGIWSA-N	311.425	4.702	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C\c2cc(F)c(F)cc2F)n1	255290436	PHBYPKNUHHHPCD-KMKOMSMNSA-N	308.328	4.748	50	20	DJGD	
Cc1cc(Cl)ccc1/C=C(/C#N)C(=O)Nc1c(C)cccc1C	588476962	UJSSTHHJLJFODC-YBEGLDIGSA-N	324.811	4.811	50	20	DJGD	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)s1)c1ccncn1	758913950	FDBIMTLAXQISLX-UKTHLTGXSA-N	323.808	4.923	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cc(F)cc(C(F)(F)F)c1	772807294	QYXPSFXQKGDRFG-STCRIKGOSA-N	313.294	4.757	50	20	DJGD	
Cc1cccc(NC(=O)CCCC[C@@H]2CCSS2)c1F	775807088	BKKNYZTYTQULLJ-GFCCVEGCSA-N	313.463	4.787	50	20	DJGD	
N#C/C(=C/c1ccc(Br)cc1Cl)c1ccccn1	255578855	DQUNPBVBJDRHGV-XFFZJAGNSA-N	319.589	4.562	50	20	DJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1ccc(C)s1	490550110	MMSLYZSRLNRACG-WJDWOHSUSA-N	324.449	4.727	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2sccc2Cl)c1C	780003908	ADTXIAHZZMVLRR-WQLSENKSSA-N	301.798	4.808	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/c1c(F)cccc1Br	794873713	APMSVAPKMIEVTJ-DHZHZOJOSA-N	324.193	4.500	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/C(C)=C\c1ccccc1COC	814189698	IQPKADODNSLDBC-UNVYESJYSA-N	311.425	4.692	50	20	DJGD	
COc1ccc(/C=C(/C#N)c2nc(C3CC3)cs2)cc1Cl	843263060	ABGJKMYYBYQQJC-SDQBBNPISA-N	316.813	4.747	50	20	DJGD	
CCOC(=O)[C@H](C)Nc1cccc(S(F)(F)(F)(F)F)c1	185558697	QSZNFRCQWXJUAL-QMMMGPOBSA-N	319.295	4.708	50	20	DJGD	
O=C(NNc1ccccc1)N[C@@H](c1ccccc1)C1CCCCC1	734269405	JTIVMOHQJPLZDZ-IBGZPJMESA-N	323.440	4.634	50	20	DJGD	
N#C/C(=C\c1ccc(-c2cccc(F)c2)s1)C(=O)c1ccoc1	806557085	LSADFBQRZFPRLH-NTEUORMPSA-N	323.348	4.937	50	20	DJGD	
CCCC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	918558066	AKGDHTUTARZKIK-NSHDSACASA-N	311.756	4.645	50	20	DJGD	
N#C/C(=C\c1cccc(-c2cccnc2)c1)C(=O)C1CCCCC1	127734156	FAENVHHVHGLJCY-DEDYPNTBSA-N	316.404	4.805	50	20	DJGD	
N#C/C(=C\c1ccc(F)cc1F)C(=O)c1ccc(Cl)cc1F	179607108	IRWHVZFOZGPFLW-BJMVGYQFSA-N	321.685	4.547	50	20	DJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3ccc(F)c(C)c3)n2)cc1	729149247	HELSJWTZGQRWHQ-YBEGLDIGSA-N	319.339	4.557	50	20	DJGD	
CCC1(CC)CCN(C(=O)CCCC[C@H]2CCSS2)C1	755557506	FPSMROVNDDUBKI-AWEZNQCLSA-N	315.548	4.739	50	20	DJGD	
N#C/C(=C\c1ccccc1C#N)C(=O)c1cc2ccccc2s1	788361820	FROYEVQJCYZAPD-CXUHLZMHSA-N	314.369	4.563	50	20	DJGD	
Cc1ccc2sc(C(=O)NNc3ccccc3Cl)cc2c1	810682736	LQXIKPBIKQFECN-UHFFFAOYSA-N	316.813	4.620	50	20	DJGD	
Oc1nc(CCCCCl)nc2sc(-c3ccccc3)cc12	824031258	HGSHLVJTPDSXDU-UHFFFAOYSA-N	318.829	4.625	50	20	DJGD	
CCCCC[C@@H](C)NC(=O)CCCC[C@@H]1CCSS1	849367567	AVHFHWGJIIAALO-ZIAGYGMSSA-N	303.537	4.786	50	20	DJGD	
COc1cccc(C(=O)/C(C#N)=C\c2ccc(C(C)(C)C)cc2)c1	915861850	CNQDXPIBWCGMJG-ATVHPVEESA-N	319.404	4.783	50	20	DJGD	
CCc1oc2ccccc2c1/C=C(/C#N)C(=O)c1ccsc1	915989922	SSFLGROYLCMALQ-LCYFTJDESA-N	307.374	4.847	50	20	DJGD	
C[C@]1(NCc2cccc(S(F)(F)(F)(F)F)c2)CCOC1	921934583	ROWWATPNCLOUPD-LBPRGKRZSA-N	317.323	4.613	50	20	DJGD	
COCc1ccc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)o1	130341016	ZVNUSUHTXAEWDA-ZROIWOOFSA-N	322.389	4.614	50	20	DJGD	
N#C/C(=C/c1ccsc1)C(=O)Nc1cc(Cl)cc(Cl)c1	211611007	UKTKCGAEHKRCOX-KMKOMSMNSA-N	323.204	4.601	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc3ncccc3c2)cc1C	809160491	QRWHMAPJXBHYOF-UNOMPAQXSA-N	312.372	4.642	50	20	DJGD	
O=C(NNc1cccc(Cl)c1)c1ccc(C2=CCCC2)cc1	810021490	HNNLRKXSYVVKJM-UHFFFAOYSA-N	312.800	4.664	50	20	DJGD	
COc1ccc(Cl)cc1/C=C(\C#N)c1nc(C2CC2)cs1	843266254	TWRYGJZEVGZSPD-WUXMJOGZSA-N	316.813	4.747	50	20	DJGD	
Cc1ccc(-c2c(C)sc3nc([C@H](C)Cl)[nH]c(=O)c23)cc1	20362948	SVGRCCMCJDDSLM-VIFPVBQESA-N	318.829	4.568	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C/c3c(F)cccc3Cl)[nH]c12	735669308	DXQVJQFIUBCSGQ-DHZHZOJOSA-N	311.747	4.728	50	20	DJGD	
CC(C)N(CC1CCC1)C(=O)CCCC[C@H]1CCSS1	768055091	LGLNQBOAKHVVOV-HNNXBMFYSA-N	315.548	4.738	50	20	DJGD	
CC(/C=C(/C#N)C(=O)C(C)C)=C\c1ccccc1C(F)(F)F	799890941	FRZYIKLVFPRWEV-DRIRWXSCSA-N	307.315	4.784	50	20	DJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/C=C/c1ccc(F)cc1	158681343	KRSHSILIRMVZRR-AQHRCUNFSA-N	320.367	4.544	50	20	DJGD	
CC(C)C(=NNC(=O)c1ccc2ccccc2n1)C1CCCCC1	733902349	QOZVGZDFRQSGFP-UHFFFAOYSA-N	323.440	4.557	50	20	DJGD	
N#C/C(=C\c1coc(-c2ccccc2)n1)c1ccc2ccccc2n1	749891518	MCSGEBGLHZWELX-SFQUDFHCSA-N	323.355	4.954	50	20	DJGD	
N#C/C(=C/c1scnc1C1CC1)C(=O)c1cc2ccccc2o1	782307230	UVYLONUXUOVKJB-JYRVWZFOSA-N	320.373	4.557	50	20	DJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2cc(F)ccc2F)s1	797405689	FFQPGMZXURILHY-IZZDOVSWSA-N	304.365	4.783	50	20	DJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(C(C)(C)C)cc2)cc1	212144600	JXEZCCCVBLPGLV-LGMDPLHJSA-N	319.404	4.783	50	20	DJGD	
Cc1cccc(NNC(=O)[C@H](C)c2c(Cl)cccc2Cl)c1	731784314	KJGHZQGCBXAQDG-LLVKDONJSA-N	323.223	4.549	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/c1cccc(C)c1OC(F)F	777872114	NVLHQFXAEHXLLE-NTEUORMPSA-N	307.340	4.509	50	20	DJGD	
CSc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)s1	798231950	MPGZFCCFOPXCFJ-DHZHZOJOSA-N	324.430	4.741	50	20	DJGD	
Cc1cnc([C@H](C)N2CCC[C@H](O[Si](C)(C)C(C)(C)C)C2)o1	844335608	GQOZTKWCCIFLPT-GJZGRUSLSA-N	324.541	4.530	50	20	DJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2cccc(OCC)c2)cc1	917622762	WRNUMNAPDGGNQT-CPNJWEJPSA-N	319.404	4.828	50	20	DJGD	
N#C/C(=C/c1cc2cc(F)ccc2o1)c1nc2ccccc2[nH]1	132430914	ANTUJEJIUVWCCP-XFXZXTDPSA-N	303.296	4.512	50	20	DJGD	
N#C/C(=C\c1c(F)cccc1F)c1nc2cc(F)ccc2s1	730148998	RMRUUOJSPDZBNL-RMKNXTFCSA-N	316.307	4.778	50	20	DJGD	
CC(C)[C@@H](C)N(C(=O)CCCC[C@H]1CCSS1)C1CC1	746517158	KUJULJCIQOHPRJ-HIFRSBDPSA-N	315.548	4.736	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ncc(C(C)(C)C)s2)cc1	790608946	IXCPKQWYKFIXBF-ZROIWOOFSA-N	310.422	4.539	50	20	DJGD	
C[C@H](NC(=O)CCCC[C@@H]1CCSS1)c1ccccc1	78467433	DMRLWLRNXWRNII-DZGCQCFKSA-N	309.500	4.578	50	20	DJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccccc1OCc1ccccc1	726428186	GVSWDIHTGQZXCA-UEIJICEPSA-N	319.404	4.788	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc3ccccc3c2)s1	729820666	VBROPHLVVDYUBI-GZTJUZNOSA-N	303.386	5.000	50	20	DJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2cccc(C)c2C)c(C)c1	731155182	BSZXFPZATSBAJY-ODLFYWEKSA-N	318.420	4.774	50	20	DJGD	
CC(C)(C)c1cnc(/C=C(/C#N)c2nc(C3CC3)cs2)s1	843273410	ROVDTMQQTYJFPL-WDZFZDKYSA-N	315.467	4.839	50	20	DJGD	
CCc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)cc1	915990202	JNYRUAKSDMBSRZ-OQLLNIDSSA-N	318.351	4.659	50	20	DJGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc(N(C)c2ccccc2)cc1	726184904	ZGZNHCXWEFOTKM-NBVRZTHBSA-N	318.420	4.977	50	20	DJGD	
C=CCCC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	726501257	NABFPFVISOPWKB-GFCCVEGCSA-N	323.767	4.811	50	20	DJGD	
CC(/C=C(/C#N)c1nc(-c2ccccc2)no1)=C\c1ccccc1	733782295	OYCYARMKGVUNIC-MNPLYOLFSA-N	313.360	4.747	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1csc(Cl)c1Cl	761480246	QOISSBKXPXQLGW-MOIHINDBSA-N	302.226	4.967	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cccc(Cl)c1OCC	782343803	XQQFWKRWXRJTOD-LQELWAHVSA-N	305.805	4.651	50	20	DJGD	
CC(=C/c1ccccc1C(F)(F)F)/C=C(\C#N)c1ccncn1	799891854	IMINHENWNCDYQM-WNEGCBGQSA-N	315.298	4.506	50	20	DJGD	
Cc1cc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)cnc1Cl	812246479	MMKSMAWWFISVOI-WZUFQYTHSA-N	323.705	4.521	50	20	DJGD	
O=C(NN=C1CCCCC12CCCC2)c1cccc(Cl)c1	814732213	CMYRCAGHDFXNTM-UHFFFAOYSA-N	304.821	4.560	50	20	DJGD	
CCc1ccc(C)nc1NC(=O)CCCC[C@H]1CCSS1	857306102	VVFBRVKFKUTOMW-AWEZNQCLSA-N	324.515	4.605	50	20	DJGD	
N#C/C(=C\c1ccccc1C(F)(F)F)C(=O)c1ccsc1	44028133	KYNCIBPENIVGBB-KPKJPENVSA-N	307.296	4.557	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/c1cnc(-c2ccccc2)s1	171158162	JSNMASVSFOCIDN-XNTDXEJSSA-N	310.422	4.722	50	20	DJGD	
N#C/C(=C\c1ccc(N2CCCCC2)cc1)C(=O)c1ccsc1	255493950	LVCWHUUZTWWRAS-SFQUDFHCSA-N	322.433	4.528	50	20	DJGD	
N#C/C(=C\c1cc2ccccc2s1)C(=O)c1ccccc1F	758419361	VPSICHZWCDHAIU-JLHYYAGUSA-N	307.349	4.830	50	20	DJGD	
CCCCCCCOc1cccc(/C=C(\C#N)c2ccncn2)c1	758916140	OPJZBSHHPXAEQN-QGOAFFKASA-N	321.424	4.890	50	20	DJGD	
N#C/C(=C\c1ccc(F)cc1C(F)(F)F)C(=O)c1ccccc1	771838006	NVPNRTXKWNOVLZ-MDWZMJQESA-N	319.257	4.634	50	20	DJGD	
CC(C)(C)c1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1	33909097	FCDXPDYJPIXBKD-QINSGFPZSA-N	301.393	4.925	50	20	DJGD	
N#C/C(=C\c1ccccc1Cl)c1nc(-c2ccncc2)cs1	141732208	SJVFSHSMMCFHJH-NTEUORMPSA-N	323.808	4.923	50	20	DJGD	
CN(C)c1ccc(/C=C(\C#N)c2nc3cc(F)ccc3s2)cc1	730149682	DRWVIGNMTLBBPD-UKTHLTGXSA-N	323.396	4.566	50	20	DJGD	
Cc1ccc(F)cc1/C=C(\C#N)C(=O)c1c[nH]c2cc(F)ccc12	777872552	WOIMDRQHKNNZJA-AWNIVKPZSA-N	322.314	4.544	50	20	DJGD	
N#C/C(=C\c1ccc2occc2c1)c1nc(-c2ccccc2)no1	794685455	HFFOTFOUKCQCIU-LFIBNONCSA-N	313.316	4.547	50	20	DJGD	
C#CCOc1ccc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)cc1	797397744	BARAUNXJNSYVCY-PTNGSMBKSA-N	322.433	4.517	50	20	DJGD	
CCOc1cccc(F)c1/C=C(\C#N)c1nc(C2CC2)cs1	871599863	XVKJCESPKFWDGW-XYOKQWHBSA-N	314.385	4.622	50	20	DJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1ccc(F)c(F)c1	8320817	AYRKCJUDNTYBPW-MDWZMJQESA-N	322.314	4.544	50	20	DJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)c1ccccn1	186057350	YKHHBRRXRRREDI-UHFFFAOYSA-N	324.274	4.991	50	20	DJGD	
CCC[C@H]1CCCN(C(=O)CCCC[C@H]2CCSS2)C1	758176959	UGERSQZKMYENGF-GJZGRUSLSA-N	315.548	4.739	50	20	DJGD	
COc1ccc2cc(/C=C(/C#N)C(=O)C3CCCC3)ccc2c1	781554432	PDAWUZJPOWTISH-WQRHYEAKSA-N	305.377	4.515	50	20	DJGD	
CC(C)(C)c1ccc(/C=C(/C#N)c2cnc3ccccc3n2)cc1	790227486	JIRZOILLTZTALW-VBKFSLOCSA-N	313.404	4.991	50	20	DJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(CCl)c2)c(C)c1	799889577	PVUYDARVHRMAPO-YVLHZVERSA-N	324.811	4.588	50	20	DJGD	
N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)c1ccccc1F	8201792	YABIXVHPZCJVOJ-CSKARUKUSA-N	320.150	4.922	50	20	DJGD	
Cc1nc(/C(C#N)=C\c2ccc(OCC3CC3)cc2)sc1C	790220743	WKYAKMSOMIRBPN-SXGWCWSVSA-N	310.422	4.613	50	20	DJGD	
CCCC(=NNC(=O)c1ccccc1Cl)C1CCCCC1	1321488274	PAJOMPLMDHUTID-UHFFFAOYSA-N	306.837	4.806	50	20	DJGD	
Cc1csc(/C(C#N)=C/c2ccc(-c3ccc(F)cc3)o2)n1	20621057	YBSMOPSNGPGTLD-MDWZMJQESA-N	310.353	4.915	50	20	DJGD	
CCc1ccc(/C=C(/C#N)C(=O)Nc2c(C)cc(C)cc2C)s1	96437744	PXAOXVCBUBABEC-GDNBJRDFSA-N	324.449	4.781	50	20	DJGD	
Cc1oc2ccccc2c1/C=C(\C#N)c1cnc2ccccc2n1	191360869	QGEDKUBBGLCUGO-GXDHUFHOSA-N	311.344	4.749	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc(C)c(OC(F)F)c(C)c1	741468429	FNQOEFHGAPYVMU-GPILYODUSA-N	321.367	4.817	50	20	DJGD	
Cc1nc(/C(C#N)=C/c2ccc3c(c2)CCC(C)(C)O3)sc1C	741472536	AXWTWTKSPFKRJF-MHWRWJLKSA-N	324.449	4.928	50	20	DJGD	
COCc1ccc(/C=C(/C#N)c2nc3cc(F)ccc3s2)cc1	741841642	NHBYGKLNUPAMDF-ZSOIEALJSA-N	324.380	4.646	50	20	DJGD	
CSc1cc(/C(C#N)=C\c2cc(Cl)ccc2Cl)ncn1	773176064	IULRYHGOEKIUOS-WMZJFQQLSA-N	322.220	4.569	50	20	DJGD	
N#C/C(=C\c1cscc1Cl)C(=O)c1ccc(Cl)s1	783688430	WLRCWJVGWYDYIR-XVNBXDOJSA-N	314.218	4.906	50	20	DJGD	
C[C@H]1CN(C(=O)CCCC[C@@H]2CCSS2)CC(C)(C)C1	784713669	MURODTBMPVFRSA-ZIAGYGMSSA-N	315.548	4.595	50	20	DJGD	
CCc1ccc(C(=O)NN=C(CCc2ccccc2)C(C)C)cc1	917541908	IOUAKLUYIZZRES-UHFFFAOYSA-N	322.452	4.624	50	20	DJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)s1	6210169	RKTSYJRLNUAOBV-UKTHLTGXSA-N	306.390	4.636	50	20	DJGD	
CCCNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184420984	UJTWRERVAKCJAV-UHFFFAOYSA-N	304.284	4.876	50	20	DJGD	
Cc1ccc(-c2csc(/C(C#N)=C/c3scnc3C)n2)cc1	742432029	RMENWIBABLURPE-VGOFMYFVSA-N	323.446	4.948	50	20	DJGD	
N#C/C(=C/c1nc2c(s1)CCCC2)c1ccc2ccccc2n1	776264415	GKSNTZBRIIDJCR-KAMYIIQDSA-N	317.417	4.634	50	20	DJGD	
Cc1cccc2cc(/C=C(/C#N)C(=O)C3CCCC3)c(Cl)nc12	781553653	UUDIAGLCHYNZDX-YBEGLDIGSA-N	324.811	4.863	50	20	DJGD	
C#CCOc1ccc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)cc1	797397750	BARAUNXJNSYVCY-RVDMUPIBSA-N	322.433	4.517	50	20	DJGD	
Cc1ccc(CNC(=O)CCCC[C@@H]2CCSS2)c(C)c1	914437353	IEVMEBOUTKKDQJ-MRXNPFEDSA-N	323.527	4.634	50	20	DJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)n1ccnc1	689661666	ZTCKNVVNUQYFKD-UHFFFAOYSA-N	313.251	4.621	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(Br)c(C)c1	746393951	MYIJCYVVDUTUNY-RLIURORJSA-N	320.230	4.670	50	20	DJGD	
N#C/C(=C/c1ccsc1Cl)C(=O)c1ccc(Cl)s1	790098832	AQFAIMUKBNSGNW-YVMONPNESA-N	314.218	4.906	50	20	DJGD	
N#C/C(=C\c1ccc2occc2c1)C(=O)c1c[nH]c2ccccc12	794688076	WEBRLFHCSVDSIS-XNTDXEJSSA-N	312.328	4.704	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cc(F)cc(C(F)(F)F)c1	794875823	ZORZAXLTOFRBOD-WZUFQYTHSA-N	313.294	4.757	50	20	DJGD	
Cc1ccccc1/C=C(/C#N)C(=O)Nc1cccc2ccccc12	59133150	KCFMTXUSFMOBER-AQTBWJFISA-N	312.372	4.694	50	20	DJGD	
Cc1ccc(/C=C(\C#N)c2nc(-c3ccncc3)cs2)cc1F	171765065	ZKJMWWBIHHNWQU-OVCLIPMQSA-N	321.380	4.717	50	20	DJGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(Cl)c(C(F)(F)F)c1	727264101	MTDBAUGMMKMGER-POHAHGRESA-N	315.722	4.881	50	20	DJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/C=C\c3ccccc3)c[nH]c2c1	746684966	VWZMYJPRYKHBHB-ZOTODKCHSA-N	312.372	4.822	50	20	DJGD	
CCCCC1CCC(C(=O)/C(C#N)=C\c2ccc(F)nc2)CC1	777466672	DRHPBBZUTVYWJA-BOPFTXTBSA-N	314.404	4.693	50	20	DJGD	
CC[C@@H](CC(F)(F)F)C(=O)NNc1c(C)cccc1C(C)C	832322516	MAVYKPKFQRZBKP-LBPRGKRZSA-N	316.367	4.540	50	20	DJGD	
N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1F	8201726	XWAQZAUUKRIHBV-YRNVUSSQSA-N	320.150	4.922	50	20	DJGD	
Cc1cccc2c1CCN2C(=O)CCCC[C@H]1CCSS1	195735339	WJMBYCXOOWHEBS-AWEZNQCLSA-N	321.511	4.598	50	20	DJGD	
Cc1cc(/C=C(/C#N)C(=O)c2ccc(F)cc2)c(C)n1CC(C)C	212697590	DTJFWJXFQWLTLQ-ZDLGFXPLSA-N	324.399	4.690	50	20	DJGD	
N#C/C(=C\c1cc2cc(F)ccc2o1)c1nc2ccccc2[nH]1	741840006	ANTUJEJIUVWCCP-FMIVXFBMSA-N	303.296	4.512	50	20	DJGD	
C[C@@H](NCc1ccc(OCCCCl)cc1)c1ccccc1	811471689	HZKCZYAQGDULTH-OAHLLOKOSA-N	303.833	4.545	50	20	DJGD	
C[C@H]1Cc2ccccc2N1C(=O)CCCC[C@H]1CCSS1	913189102	YSHJEEOVRWBNAX-ZFWWWQNUSA-N	321.511	4.678	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cccs1	175630534	VBRUJCYTQYVHSP-UHFFFAOYSA-N	316.451	4.698	50	20	DJGD	
CCOCCC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	180333692	VLSUKKMNSRGMJR-UHFFFAOYSA-N	319.295	4.709	50	20	DJGD	
Cc1ccc(C)c(/C=C(\C#N)c2nc(-c3ccncc3)cs2)c1	194580346	NMQYKWUPLZCCBJ-LICLKQGHSA-N	317.417	4.886	50	20	DJGD	
CCC(CC)[C@@H](NC(=O)NNc1ccccc1)c1cccs1	734269709	NDHFKXAFHHLOEP-MRXNPFEDSA-N	317.458	4.552	50	20	DJGD	
CCCCCC(CCCCC)=NNC(=O)c1ccc(N)cc1	743420343	DSIGUQPXPMBIPX-UHFFFAOYSA-N	303.450	4.515	50	20	DJGD	
N#C/C(=C/c1cccc(-c2ccccn2)c1)C(=O)c1ccsc1	747690219	FJXOVGYMPWGVCN-BOPFTXTBSA-N	316.385	4.600	50	20	DJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2sccc2C)cc1Cl	766290248	OMBPDDFMGAZKCY-QPEQYQDCSA-N	301.798	4.808	50	20	DJGD	
Cc1nc(/C(C#N)=C/c2ccc(OC(F)F)c(F)c2)sc1C	162610979	LEXOFJIJDBDRDA-VZUCSPMQSA-N	324.327	4.565	50	20	DJGD	
O=C(NCCCF)Nc1cccc(S(F)(F)(F)(F)F)c1	184406238	VVHMDMCXAUYUAZ-UHFFFAOYSA-N	322.274	4.825	50	20	DJGD	
CCC[C@@H](C=NNC(=O)c1cc2ccccc2o1)c1ccccc1	769585656	OSMZGNYFCVVXOS-KRWDZBQOSA-N	320.392	4.732	50	20	DJGD	
Cc1cccc(/C=C(/C#N)C(=O)CC(C)(C)C)c1OC(F)F	777870338	CVJHSZSZSJLXGX-JYRVWZFOSA-N	307.340	4.509	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2ccc3cnccc3c2)c1C	780006206	XUNPXKSCGURWRT-YBFXNURJSA-N	312.372	4.642	50	20	DJGD	
COc1ccc(/C=C(\C#N)C(=O)c2sccc2C)c(Cl)c1	915990334	NAEUTZQNQGVWGZ-KPKJPENVSA-N	317.797	4.508	50	20	DJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)c1c[nH]c2cc(Cl)ccc12	206972794	HROJQRDRVIWCFL-GHXNOFRVSA-N	324.742	4.750	50	20	DJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2ccc(F)c(F)c2)cc1	213630796	VTTXLILHUIEWKL-YBEGLDIGSA-N	311.331	4.707	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cscc2Cl)cc1C	809145825	GWQBXZYAJVEPEV-AWNIVKPZSA-N	301.798	4.808	50	20	DJGD	
N#C/C(=C/c1nc(-c2ccccc2)cs1)C(=O)c1ccccc1	78460547	QXSHWESKBBTRKS-WJDWOHSUSA-N	316.385	4.600	50	20	DJGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1cnc(C2CCCC2)s1	128793852	KEFXTSLSZNOHPL-MDWZMJQESA-N	302.443	4.713	50	20	DJGD	
CN(CCF)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	297140412	JPDRBFNPGSJEQA-UHFFFAOYSA-N	322.274	4.777	50	20	DJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1cc(C2CC2)ccn1	811952487	ITNTXSVQPJSNSN-CQSZACIVSA-N	322.499	4.612	50	20	DJGD	
CCc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(C)ccc23)cc1	920069002	XVMOBUHXDOOTJN-GZTJUZNOSA-N	314.388	4.829	50	20	DJGD	
COCC1(NCc2cccc(S(F)(F)(F)(F)F)c2)CC1	921858145	XFUGSKMQTYEJKQ-UHFFFAOYSA-N	317.323	4.613	50	20	DJGD	
COc1cccc2cc(/C=C(/C#N)C(=O)c3ccccc3C)oc12	1317704610	ODDOJZWNIFHFOH-PTNGSMBKSA-N	317.344	4.540	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2c(C)oc3ccccc23)s1	759034786	KYYVWTANSFJBCO-UKTHLTGXSA-N	307.374	4.901	50	20	DJGD	
Cc1nc(/C(C#N)=C/c2nc3ccc(F)cc3s2)sc1C	761479752	NGOLPTXTURZSFJ-BJMVGYQFSA-N	315.398	4.573	50	20	DJGD	
N#C/C(=C\c1sccc1Cl)C(=O)Nc1ccc(Cl)cc1	779221251	SXIMGIXNUUSPFA-VQHVLOKHSA-N	323.204	4.601	50	20	DJGD	
CCCN(N=C(C)CCc1ccccc1)C(=O)OC(C)(C)C	794998510	PYBXFQIEMBXBIB-UHFFFAOYSA-N	304.434	4.642	50	20	DJGD	
CC(C)CC[C@@H](C)NC(=O)CCCC[C@H]1CCSS1	849368034	ONDBCNMVVLGFSR-KGLIPLIRSA-N	303.537	4.641	50	20	DJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1cscc1C(F)(F)F	1327586560	AJWSJAQWOHFQHL-IZZDOVSWSA-N	321.323	4.865	50	20	DJGD	
CCN(C)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	181779460	ISNGLVKKYWLEEI-UHFFFAOYSA-N	304.284	4.828	50	20	DJGD	
N#C/C(=C/c1ccc2ncccc2c1)c1ccc2ccccc2n1	917146706	UOJAYBKGQUUVSS-AQTBWJFISA-N	307.356	4.847	50	20	DJGD	
Cn1cc(CNc2cccc(S(F)(F)(F)(F)F)c2)cn1	186145744	BFXUQUUSDPCTKS-UHFFFAOYSA-N	313.295	4.690	50	20	DJGD	
N#C/C(=C\c1ccc(F)cc1F)c1nc2cc(F)ccc2s1	730148323	DRPKXNMCNNNHSO-BJMVGYQFSA-N	316.307	4.778	50	20	DJGD	
Cc1cccc(F)c1NNC(=O)c1ccc(-c2ccccc2)cc1	771692854	MPOKRHQZXAKHCO-UHFFFAOYSA-N	320.367	4.558	50	20	DJGD	
C[C@@H]1CN(C(=O)CCCC[C@H]2CCSS2)c2ccccc21	915634932	OZZXCUBKSIKFDA-KGLIPLIRSA-N	321.511	4.851	50	20	DJGD	
CC(C)c1ccc(CCC(=O)NNc2cccc(Cl)c2)cc1	916163819	BCRAOVMATHEPIF-UHFFFAOYSA-N	316.832	4.539	50	20	DJGD	
Cc1ccsc1/C=C(/C#N)c1nc2cc(F)ccc2s1	730148257	DCTZYDCPQUZJLO-POHAHGRESA-N	300.383	4.870	50	20	DJGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(\C#N)c2nc(-c3ccccc3)no2)o1	733781760	HHYGLWCHXYEBEY-JUICJWRVSA-N	317.348	4.517	50	20	DJGD	
CCCCc1ccc([C@H](NC=C(C#N)C#N)c2cccs2)cc1	747838339	VLKZIMVQUUNBHA-IBGZPJMESA-N	321.449	4.701	50	20	DJGD	
Cc1cccc([C@@H](C)C(=O)NNc2cc(Cl)ccc2Cl)c1	752810555	JLNREMOTYLTFEH-LLVKDONJSA-N	323.223	4.549	50	20	DJGD	
Cc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1Cl	766289763	RRYDDCBDUJIJTR-DHDCSXOGSA-N	310.784	4.503	50	20	DJGD	
CC(C)(C)c1ccc(NNC(=O)c2csc3ccccc23)cc1	780806120	XSLGWRXAVDVDQI-UHFFFAOYSA-N	324.449	4.956	50	20	DJGD	
N#C/C(=C\c1ccc2occc2c1)C(=O)c1ccc2ncccc2c1	794690970	LNHVMAJGBXWIGY-WOJGMQOQSA-N	324.339	4.771	50	20	DJGD	
CC(=C/c1ccccc1)/C=C(\C#N)c1nc(-c2ccccc2)no1	733782297	OYCYARMKGVUNIC-SXDCBDFHSA-N	313.360	4.747	50	20	DJGD	
C/C(=C/C(=O)NNc1cc(C)ccc1C)c1ccccc1Cl	748380461	BGXXPRBQGSETMN-KAMYIIQDSA-N	314.816	4.503	50	20	DJGD	
N#C/C(=C\c1c(Cl)ccc(Cl)c1Cl)c1ccncn1	758916253	QJAIDERPNLXYOD-VMPITWQZSA-N	310.571	4.501	50	20	DJGD	
N#C/C(=C\c1ccc(C#N)s1)C(=O)c1cc2ccccc2s1	788331563	NMTZFLOGSNDLGE-KPKJPENVSA-N	320.398	4.624	50	20	DJGD	
Cc1cc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)ccc1F	812246770	UIPPCMWWFAIPRD-KPKJPENVSA-N	306.262	4.612	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C/c2ccc(N3CCCC3)cc2)n1	1252481337	GJAJWIYVNHCDIR-LFIBNONCSA-N	323.465	4.931	50	20	DJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cccc3ccccc23)c1	5619562	IBODFNMPEYFMDK-QGOAFFKASA-N	312.372	4.694	50	20	DJGD	
COc1ccc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)c(Cl)c1	735620308	WZEMOKSZQIHMIK-JYRVWZFOSA-N	323.783	4.598	50	20	DJGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cccc2ccsc12	752653024	YUNSIBQUTPIJKS-GXDHUFHOSA-N	322.364	4.586	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(F)c(C(F)(F)F)c1	755407776	ZNSFWKNRXSCIKS-GHXNOFRVSA-N	313.294	4.757	50	20	DJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)c(C)o1	767879004	RJPJSKRJFMUBLC-BOPFTXTBSA-N	316.360	4.595	50	20	DJGD	
CC[C@H](NC(=O)/C(C#N)=C/c1ccccc1Cl)c1ccccc1	787141489	NZXVWAWFELPBEB-QIPRVMPFSA-N	324.811	4.514	50	20	DJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cc3ccccc3o2)c1	918736177	SHAXAHMTUJVSAM-BOPFTXTBSA-N	301.345	4.840	50	20	DJGD	
Cc1cccc2sc(C(=O)NNc3ccccc3)c(Cl)c12	874060045	CQUYTUIALBKDSK-UHFFFAOYSA-N	316.813	4.620	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cnc(C3CCC3)s2)cc1	154282526	GKDNTTNSOAOFIB-OQLLNIDSSA-N	308.406	4.509	50	20	DJGD	
Cc1ccc(C)c(NNC(=O)CCCCCc2cccs2)c1	748415243	HJYIIIGTOCAMPB-UHFFFAOYSA-N	316.470	4.611	50	20	DJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1ccc(Cl)cc1)c1ccccc1	787144768	MVJUSRPNQHIAEU-XSVZSIDJSA-N	324.811	4.514	50	20	DJGD	
Cc1ccc(F)cc1/C=C(/C#N)c1ncc(C(C)(C)C)s1	797398717	JSYZNAPEISPMIV-QPEQYQDCSA-N	300.402	4.952	50	20	DJGD	
ClCCCOc1ccc(CNc2cccc3cc[nH]c23)cc1	811491166	AUBFWWYUOFODKP-UHFFFAOYSA-N	314.816	4.788	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1c(C)cccc1Cl	833106472	MUKLXAZXLKTZMJ-UHFFFAOYSA-N	316.832	4.837	50	20	DJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1ccc(OCC2CC2)cc1	1255676507	RAYRHEYIKKSHPG-LDADJPATSA-N	317.388	4.574	50	20	DJGD	
N#C/C(=C\c1ccc(Cl)s1)C(=O)Nc1ccc(Cl)cc1	14175753	AGFGWKCLHIGHLO-VQHVLOKHSA-N	323.204	4.601	50	20	DJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cc(Cl)cc(Cl)c1OC	726428225	HTRDQQNEXSSOMP-BVBCSLMJSA-N	312.196	4.524	50	20	DJGD	
CC[C@H]1CCCN(C(=O)CCCC[C@H]2CCSS2)CC1	735274916	NCEIARRLDQYWBH-GJZGRUSLSA-N	315.548	4.739	50	20	DJGD	
N#C/C(=C\c1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1F	773149738	KCYHGFBFPABUJG-YRNVUSSQSA-N	320.150	4.922	50	20	DJGD	
N#C/C(=C\c1ccc2cnccc2c1)C(=O)c1cccc(Cl)c1	780004343	LQAOCOSTCXBKOQ-RQZCQDPDSA-N	318.763	4.678	50	20	DJGD	
CC(C)(CCNC(=O)CCCC[C@@H]1CCSS1)C1CC1	819149299	GFGYRLIKCOSXQJ-CQSZACIVSA-N	315.548	4.643	50	20	DJGD	
CC(C)(C)[Si](C)(C)OCCSc1nnc(C2CC2)s1	821078050	GHYXNXXKPCZPDB-UHFFFAOYSA-N	316.568	4.529	50	20	DJGD	
Cc1ccc(-c2csc3nc([C@@H](C)Cl)[nH]c(=O)c23)c(C)c1	20303827	IAFCYXQFTCSTPO-SNVBAGLBSA-N	318.829	4.568	50	20	DJGD	
N#CC(C#N)=Cc1ccc(-c2ccccc2Br)s1	27052983	NPMAWAIKIXFUMM-UHFFFAOYSA-N	315.195	4.608	50	20	DJGD	
N#C/C(=C/c1cccc(F)c1F)C(=O)c1cc2ccccc2o1	107417628	OKZXHVRKWFJECV-JYRVWZFOSA-N	309.271	4.501	50	20	DJGD	
CCCC[C@@H]1CCCC1=NNC(=O)c1ccc2ccccc2c1	727255168	JTEBMMPSMGTNKB-MRXNPFEDSA-N	308.425	4.916	50	20	DJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(F)c(Cl)c1Cl	761386219	OKGXSAYALVSZPR-KZSPTFSBSA-N	300.160	4.655	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2sccc2Cl)c1C	780003909	ADTXIAHZZMVLRR-XYOKQWHBSA-N	301.798	4.808	50	20	DJGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)o1	783687391	ILHQGTXNFGSVRQ-FWXOOFNASA-N	317.797	4.908	50	20	DJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)c(C)cc2C)c(C)c1	23215333	DYZXTLHLHACBIP-YBFXNURJSA-N	318.420	4.774	50	20	DJGD	
CCCN(N=C(C)C1CCC(F)(F)CC1)C(=O)OC(C)(C)C	794997363	YMOYNJFFLMYCCZ-UHFFFAOYSA-N	318.408	4.835	50	20	DJGD	
Cc1ccc(C)c(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)c1	812247177	ZXIJUGDVNHAOSA-RIYZIHGNSA-N	302.299	4.781	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C\c2ccc(C(F)(F)F)[nH]2)n1	905075930	ZULFYIDVAXTIJN-UITAMQMPSA-N	311.332	4.678	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cccc(-c2cccnc2)c1	255659871	FNOHVTZENXSJHA-CCRNYGKSSA-N	304.393	4.661	50	20	DJGD	
CC[C@@H](OC(=O)CCCC[C@@H]1CCSS1)C(F)(F)F	835649221	LERVPHFLXPBQFS-NXEZZACHSA-N	316.410	4.585	50	20	DJGD	
CN(C)c1ccc(/C=C(/C#N)c2ccc3ccccc3n2)cc1F	727655344	VUQPBCIKWPLFCC-WJDWOHSUSA-N	317.367	4.504	50	20	DJGD	
CCCOc1ccc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)cc1	735616892	LYTAZEXADTYNJT-FOWTUZBSSA-N	317.392	4.724	50	20	DJGD	
CC(C)C[C@@H]1CCN(C(=O)CCCC[C@H]2CCSS2)C1	744639637	ZYJSYFNTSGDJNO-GJZGRUSLSA-N	315.548	4.595	50	20	DJGD	
C[C@H](C=NNC(=O)c1cccc(Cl)c1)c1cccc(Cl)c1	763347414	ZQYDRUKTJQARTH-LLVKDONJSA-N	321.207	4.513	50	20	DJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccc(Cl)s2)cc1F	783688158	VIWPTHJFNSHANI-IZZDOVSWSA-N	305.761	4.639	50	20	DJGD	
CCc1cccc(C)c1NNC(=O)c1cccc(Cl)c1Cl	799759900	ZAHSOAMSSDPZNY-UHFFFAOYSA-N	323.223	4.621	50	20	DJGD	
N#C/C(=C/c1cccc(CCl)c1)C(=O)c1cc2ccccc2o1	799890378	JWANINIXQSZIGN-SXGWCWSVSA-N	321.763	4.961	50	20	DJGD	
N#C/C(=C/c1ccsc1Cl)c1cc(C(F)(F)F)ccn1	812246163	FFZXYANICCQCQJ-UITAMQMPSA-N	314.719	4.879	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1sccc1C1CC1	812765415	ICWOHNGKPVAODU-UHFFFAOYSA-N	314.454	4.814	50	20	DJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccc(C)c(C)c2)c(C)c1	207694867	POZDWOPZUZIVMK-ODLFYWEKSA-N	318.420	4.774	50	20	DJGD	
CC[C@H](Cl)c1nc(O)c2c(-c3ccc(F)cc3)csc2n1	43554254	KLCJJBPIXFYDAM-NSHDSACASA-N	322.792	4.893	50	20	DJGD	
Cc1ccoc1/C=C(\C#N)C(=O)c1c[nH]c2cc(Cl)ccc12	742349937	XAXJJFHVIAZYNJ-IZZDOVSWSA-N	310.740	4.513	50	20	DJGD	
CCc1ccc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)o1	760211772	PZWRGLSRLMAUIO-QINSGFPZSA-N	316.360	4.541	50	20	DJGD	
Cc1cc(F)ccc1/C=C(/C#N)C(=O)c1ccc(Cl)s1	783686759	AEJNWQCCQNYFGV-XFFZJAGNSA-N	305.761	4.639	50	20	DJGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1ccccc1Cl)c1ccccc1	787141491	NZXVWAWFELPBEB-XSVZSIDJSA-N	324.811	4.514	50	20	DJGD	
N#C/C(=C/c1cccc(CCl)c1)C(=O)c1c[nH]c2ccccc12	799889395	NZQCVHHXFRVDIJ-DHDCSXOGSA-N	320.779	4.697	50	20	DJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2c(F)cccc2Cl)c1	918733781	UBOYHAKKEVEJDI-ZROIWOOFSA-N	313.759	4.886	50	20	DJGD	
Cc1ccc(-c2nc(/C=C(/C#N)C(=O)CC(C)C)cs2)cc1	255414136	HBIDTQUSWSLDQN-DHDCSXOGSA-N	310.422	4.641	50	20	DJGD	
COc1cc(/C=C(/C#N)C(=O)c2cc3ccccc3o2)ccc1C	588597567	VMIVRZLMPOGGAA-SXGWCWSVSA-N	317.344	4.540	50	20	DJGD	
N#C/C(=C/c1ccccc1OC1CCCC1)C(=O)C1CCCC1	781555918	RWOFELJKLUHEER-LGMDPLHJSA-N	309.409	4.674	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ncc(C(C)(C)C)s2)s1	790601257	SKWOHHXLAOYZHZ-XFFZJAGNSA-N	316.451	4.600	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cscc2Cl)cc1C	809145826	GWQBXZYAJVEPEV-MLPAPPSSSA-N	301.798	4.808	50	20	DJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(F)ccc23)cc1C	915990158	JGEGTXHELFMNGW-NVNXTCNLSA-N	318.351	4.714	50	20	DJGD	
Cc1cc(C)c(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)c(C)c1	916139904	APRGPWGPRNVBQG-YBEGLDIGSA-N	314.388	4.883	50	20	DJGD	
CCCCOC(=O)/C(C#N)=C\c1cc(-c2ccccc2)cs1	917517951	UNRORBYSIYUVAD-GDNBJRDFSA-N	311.406	4.665	50	20	DJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2cccn2CCC)cc1	918185024	VYSOVUMTQSDVMB-NBVRZTHBSA-N	306.409	4.640	50	20	DJGD	
C=CCOc1cccc(/C=C(/C#N)C(=O)c2cc(C)cc(C)c2)c1	918713238	GPVCVGVBGVRFPU-UNOMPAQXSA-N	317.388	4.658	50	20	DJGD	
Cc1cc(O)c(C(C)C)cc1NC(=O)C1CCC(Cl)CC1	1521266649	RPYVATBNYOOIOP-UHFFFAOYSA-N	309.837	4.560	50	20	DJGD	
CCCC(=NNC(=O)c1ccc2ccccc2n1)C1CCCCC1	727779817	XAPWVKORVXHTGD-UHFFFAOYSA-N	323.440	4.701	50	20	DJGD	
CCCCCC[C@H]1CCCC1=NNC(=O)c1ccc(Cl)nc1	728156058	ABNCSOMIZJDUBP-ZDUSSCGKSA-N	321.852	4.591	50	20	DJGD	
Cc1nc(/C(C#N)=C/c2cccc(C(F)(F)F)c2)sc1C	741475140	VMLYVTWLZPQURW-WUXMJOGZSA-N	308.328	4.843	50	20	DJGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1csc(Cl)c1Cl	761384782	IXKFZBVGHPXYFW-XBXARRHUSA-N	302.226	4.967	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2coc3ccccc23)cc1C	809146002	KLIHEYLFRPGPRB-MHWRWJLKSA-N	301.345	4.840	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@H](C)c1cccc(F)c1	812765151	XRCBZNZKINDEHP-CQSZACIVSA-N	314.404	4.504	50	20	DJGD	
CCCCCCC(C)=NNC(=O)c1cc(C)nc2ccccc12	917567486	JPOLMKOGKCTPDJ-UHFFFAOYSA-N	311.429	4.619	50	20	DJGD	
CCCn1c(C)cc(/C=C(\C#N)c2nnc(C3CCCC3)o2)c1C	1322919700	LHWIVHSUKLOSDE-GZTJUZNOSA-N	324.428	4.620	50	20	DJGD	
N#C/C(=C/c1cc(Cl)cs1)C(=O)c1ccc(Cl)s1	588600875	UBGPKCASZDEMSL-CLTKARDFSA-N	314.218	4.906	50	20	DJGD	
C[C@H](Sc1ccccc1)c1ccc(NC=C(C#N)C#N)cc1	752230434	QOSUJGIKCXFKJA-AWEZNQCLSA-N	305.406	4.883	50	20	DJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2cn(C(C)C)nc2C)cc1	798344233	ALHKEMXQBYLLFQ-WQRHYEAKSA-N	321.424	4.515	50	20	DJGD	
COc1ccccc1-c1ccc(/C=C(\C#N)C(=O)C(C)(C)C)cc1	172690867	WJMIODXWWBSVAS-GHRIWEEISA-N	319.404	4.884	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cccc(C)c1	175624169	GEFIJXZJTBZQEA-UHFFFAOYSA-N	324.449	4.945	50	20	DJGD	
Cc1cc(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1	195713820	RHUSPXDWINZMPX-GDNBJRDFSA-N	310.784	4.503	50	20	DJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)[C@H]1CC1(F)F	297980462	QOKXEPNBOBCDGY-MRVPVSSYSA-N	323.233	4.938	50	20	DJGD	
N#C/C(=C/c1ccc(F)c(C(F)(F)F)c1)C(=O)c1ccccc1	755405012	WIMWFCJBQMJQGN-JYRVWZFOSA-N	319.257	4.634	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(F)c(C(F)(F)F)c1	755407777	ZNSFWKNRXSCIKS-KPKJPENVSA-N	313.294	4.757	50	20	DJGD	
CC(C)[C@@H](C=NNC(=O)c1cc2ccccc2o1)c1ccccc1	794518542	CHGFPZQQFBVFNH-QGZVFWFLSA-N	320.392	4.588	50	20	DJGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1c(F)cccc1Br	794875660	UDQOASABMNMADA-JXMROGBWSA-N	324.193	4.500	50	20	DJGD	
N#C/C(=C/c1ccc(Cl)s1)c1nc(-c2ccccc2)no1	834729909	NGIIBBDXMYMIAC-FLIBITNWSA-N	313.769	4.516	50	20	DJGD	
CC(C)c1ncc(/C=C(\C#N)c2nc(C3CC3)cs2)s1	843266329	UQEWJQDGIPCLSU-VZUCSPMQSA-N	301.440	4.665	50	20	DJGD	
C[C@@H]1CCC[C@@H](N(C)C(=O)CCCC[C@H]2CCSS2)C1	914498901	WXKUVHOZUOQTLP-KFWWJZLASA-N	315.548	4.738	50	20	DJGD	
N#C/C(=C/c1ccc(Cl)cc1)C(=O)c1c[nH]c2ccccc12	103033614	QBJDKFVHZFNPBB-LCYFTJDESA-N	306.752	4.611	50	20	DJGD	
N#C/C(=C/c1ccc(C(F)(F)F)s1)C(=O)c1ccccc1	761374786	DGYCRMQKOCBFCD-FLIBITNWSA-N	307.296	4.557	50	20	DJGD	
C/C=C(\C)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	770479295	RMYRPSKOILEWHW-DGDCUBRUSA-N	323.767	4.811	50	20	DJGD	
Cn1c(/C(C#N)=C\c2ccc(C(F)F)cc2)nc2ccccc21	794870623	WRUSYZNEUOIHIK-UVTDQMKNSA-N	309.319	4.575	50	20	DJGD	
CCCCCCNC(=O)/C(C#N)=C\c1csc2ccccc12	810215616	IGTAUDSBAMCFJI-KAMYIIQDSA-N	312.438	4.505	50	20	DJGD	
Cc1c(/C=C(\C#N)c2nc(C(C)C)cs2)cccc1[N+](=O)[O-]	871599537	SIXJHHRYISLRRE-NTUHNPAUSA-N	313.382	4.547	50	20	DJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2ccc(Cl)cn2)s1	887283102	RBIJAWJGUAWKEO-POHAHGRESA-N	303.818	4.553	50	20	DJGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1cccc(OC2CCCC2)c1	918712916	CZJSBAWIUCLIRL-WJDWOHSUSA-N	311.425	4.920	50	20	DJGD	
Cc1cc(C)cc(NNC(=O)c2oc3c(C)ccc(C)c3c2C)c1	919965837	REYHTJYLCMSRKA-UHFFFAOYSA-N	322.408	4.732	50	20	DJGD	
Cc1cc(/C=C(/C#N)C(=O)C(C)(C)C)ccc1Oc1cccnc1	112224175	XXKUXXAIEVHEDE-WJDWOHSUSA-N	320.392	4.705	50	20	DJGD	
CC(CCC1CCCCC1)=NNC(=O)c1cccc2ncccc12	731927242	CZPVBUXXEIAIGM-UHFFFAOYSA-N	323.440	4.701	50	20	DJGD	
N#C/C(=C\c1coc2ccccc12)C(=O)c1cccc(Cl)c1	746521139	VNNZESNUAUUMQL-MDWZMJQESA-N	307.736	4.876	50	20	DJGD	
N#C/C(=C/c1cc2cc(F)ccc2o1)C(=O)c1cccc(F)c1	772172946	WWGNKRNVWMPXSY-LCYFTJDESA-N	309.271	4.501	50	20	DJGD	
CCCc1cccc(/C=C(\C#N)c2nc3ccccc3n2C)c1	773910013	VAQPHDJYHWRJID-GHRIWEEISA-N	301.393	4.590	50	20	DJGD	
CC(C)(C)c1ccc(NNC(=O)Nc2cccc3cc[nH]c23)cc1	776064084	NKABDTJPYKMJFG-UHFFFAOYSA-N	322.412	4.614	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1csc(-c2cccs2)n1	794874742	OAWGMTVICBVVBJ-DHZHZOJOSA-N	316.451	4.784	50	20	DJGD	
N#C/C(=C\c1cscc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1	811685021	HFHAAONPBOCCIM-BJMVGYQFSA-N	324.283	4.739	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cc(C)n(C2CC2)c1C	55040849	YZHLGOWSOSWVEG-DHDCSXOGSA-N	310.422	4.600	50	20	DJGD	
CC(C)COc1ccc(/C=C(\C#N)C(=O)c2ccccc2F)cc1	730150494	AESDJSVAPNNPJU-LFIBNONCSA-N	323.367	4.650	50	20	DJGD	
Cc1cc(F)ccc1NNC(=O)[C@H](C)c1ccc2ccccc2c1	748570512	LSROSRXGWGFPQF-CQSZACIVSA-N	322.383	4.534	50	20	DJGD	
C/C(=C/c1c(Cl)cccc1Cl)C(=O)NNc1ccccc1	768300605	UQKWBHYPUVEGKL-KHPPLWFESA-N	321.207	4.540	50	20	DJGD	
N#C/C(=C\c1csc(-c2ccsc2)n1)C(=O)C1CCCC1	781553663	UXKWPLXRSQOBDU-NTUHNPAUSA-N	314.435	4.538	50	20	DJGD	
O=C(NN=C1CCC2(CCCC2)CC1)c1cc2ccccc2o1	811643720	IUECDJAVZPCXSP-UHFFFAOYSA-N	310.397	4.653	50	20	DJGD	
C[C@H](COC(=O)CCCC[C@@H]1CCSS1)CC(F)F	842438563	DMAWFCOPRWKVMC-WDEREUQCSA-N	312.447	4.535	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(C)cc1	175630463	PNMIIYNXWVAOOC-UHFFFAOYSA-N	324.449	4.945	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc(F)cc(C(F)(F)F)c1	772798997	YWXWPGVOJIZYIK-XGICHPGQSA-N	313.294	4.757	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/C(C)=C/c1ccccc1COC	814189700	IQPKADODNSLDBC-WYHNFTLFSA-N	311.425	4.692	50	20	DJGD	
N#C/C(=C\c1ccc(C#N)cc1F)c1nc2cc(F)ccc2s1	772799008	ZCJOIJYHQQYWFB-WUXMJOGZSA-N	323.327	4.510	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)Nc1cccc2[nH]ccc12	812930921	DKVMQFNKJJPUKD-UHFFFAOYSA-N	322.412	4.748	50	20	DJGD	
CCc1ccc(/C=C(/C#N)C(=O)c2cc3ccccc3o2)cc1	916131506	WARQALRYZVPIQO-BOPFTXTBSA-N	301.345	4.785	50	20	DJGD	
Cc1ccc(-c2nnc(CCCC[C@H]3CCSS3)o2)o1	1329083213	VCWXWQUIIBTNEU-NSHDSACASA-N	310.444	4.505	50	20	DJGD	
Clc1ccccc1CO[C@@H]1CCCC[C@@H]1Br	50502800	OHFOYZITSJFRRK-WCQYABFASA-N	303.627	4.563	50	20	DJGD	
CO[C@@H](C)CC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	186055797	QAYWNYDUXNKLPZ-QMMMGPOBSA-N	319.295	4.708	50	20	DJGD	
C=CCOc1cccc(/C=C(/C#N)C(=O)c2cccc(C)c2C)c1	727655518	VVZSWRGRTNDAQG-PDGQHHTCSA-N	317.388	4.658	50	20	DJGD	
CCc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(F)ccc23)s1	731156482	GGNGFVCMRFWIEG-XFFZJAGNSA-N	324.380	4.721	50	20	DJGD	
O=C(NN=C1CCC[C@@H](C2CC2)C1)c1ccc2ccccc2c1	737430577	UWMHANOHCYNDBD-QGZVFWFLSA-N	306.409	4.526	50	20	DJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccc(F)c(Cl)c2)s1	773154854	NNBPLDGDGCOGNU-WDZFZDKYSA-N	305.761	4.639	50	20	DJGD	
CC(C)(C#N)CCCOC(=O)CCCC[C@H]1CCSS1	782342149	OIWDSWSXIOQAPR-ZDUSSCGKSA-N	315.504	4.574	50	20	DJGD	
N#C/C(=C/c1ccc(Cl)cc1)C(=O)c1ccc2ncccc2c1	794886049	XWZDFBFXJNETFU-YBEGLDIGSA-N	318.763	4.678	50	20	DJGD	
Cc1ccc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)cc1F	797398510	HVMSDBHAUUOUPE-NTUHNPAUSA-N	300.402	4.952	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc3cc(F)ccc3o2)s1	132653644	LOJWBBYTZDJKJW-WQLSENKSSA-N	311.337	4.732	50	20	DJGD	
C=CC[C@H](C)C(C)=NNC(=O)c1cc2c(s1)CCCCCC2	727777956	VLCQQIAUPZCVLF-ZDUSSCGKSA-N	318.486	4.725	50	20	DJGD	
CCOc1ccccc1/C=C(/C#N)c1nc2cc(F)ccc2s1	730149193	UVISRSSLHFOLTQ-LCYFTJDESA-N	324.380	4.898	50	20	DJGD	
C[C@@H](NC(=O)CCCC[C@@H]1CCSS1)C1CCCCC1	741707482	GROGKOYAFBCCEZ-UKRRQHHQSA-N	315.548	4.786	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1c(C)oc2ccccc12	759035984	SWTIHVXBFALYDV-LCYFTJDESA-N	307.374	4.901	50	20	DJGD	
N#C/C(=C/c1ccc(F)c(Cl)c1Cl)C(=O)C1CCCC1	761387093	UETWTSHWRRBSEN-XFFZJAGNSA-N	312.171	4.799	50	20	DJGD	
O=C(NNc1cccc2c1CCCC2)c1cccc(C2CCC2)c1	798982943	QPASJPLDOKFHMH-UHFFFAOYSA-N	320.436	4.590	50	20	DJGD	
N#C/C(=C/c1ccc(-c2cccc(F)c2)s1)C(=O)c1ccoc1	806557086	LSADFBQRZFPRLH-ZROIWOOFSA-N	323.348	4.937	50	20	DJGD	
CC(C)CC[C@H](C)NC(=O)CCCC[C@@H]1CCSS1	849368035	ONDBCNMVVLGFSR-UONOGXRCSA-N	303.537	4.641	50	20	DJGD	
N#C/C(=C/c1cccc(F)c1)C(=O)c1c(Cl)cccc1Cl	44028242	TZODGCOFOWICLR-XFFZJAGNSA-N	320.150	4.922	50	20	DJGD	
Cc1cc(F)ccc1-c1ccc(/C=C(\C#N)C(=O)C(C)(C)C)o1	734303343	LXFZDDLHVXTNDE-JLHYYAGUSA-N	311.356	4.916	50	20	DJGD	
C/C(=C\C(=O)NNc1cc(C)ccc1C)c1ccccc1Cl	748380464	BGXXPRBQGSETMN-SDNWHVSQSA-N	314.816	4.503	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2nc3ccc(F)cc3s2)cc1	761386955	RWKOUUDCAOVTHT-JYRVWZFOSA-N	322.364	4.534	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(C(C)C)c([N+](=O)[O-])c1	794874973	QCVOSFPAAPHSHT-NTEUORMPSA-N	314.385	4.630	50	20	DJGD	
Cc1ccc(NNC(=O)c2sccc2C(C)C)c(Cl)c1	836936237	HVHFZQPRHSIDEP-UHFFFAOYSA-N	308.834	4.590	50	20	DJGD	
CC(C)(O)CCNCc1cccc(S(F)(F)(F)(F)F)c1	922013505	AZQSKLQWRJOLJQ-UHFFFAOYSA-N	319.339	4.595	50	20	DJGD	
Cc1cc(/C=C(/C#N)c2cnc3ccccc3n2)ccc1Cl	588580818	QVGTVWSHLCBGPN-ZROIWOOFSA-N	305.768	4.656	50	20	DJGD	
Cc1cc(C)c(NNC(=O)c2coc3cc(C)c(C)cc23)c(C)c1	771422252	NRQCVSSBAWKCBB-UHFFFAOYSA-N	322.408	4.732	50	20	DJGD	
N#C/C(=C\c1ccc(SC(F)F)cc1)C(=O)c1ccccc1	781543702	QLOXVHZVPIOURX-GXDHUFHOSA-N	315.344	4.791	50	20	DJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)cc1C	783715275	UVEXETFDKRXAJH-JYRVWZFOSA-N	301.798	4.808	50	20	DJGD	
N#C/C(=C\c1ccc(-c2cccc(F)c2F)o1)c1ccccn1	790100984	KOVSSOVDGPQLMX-ZRDIBKRKSA-N	308.287	4.684	50	20	DJGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CCCC2)cc1	792863289	SVRJLWFHQQKQCZ-UHFFFAOYSA-N	305.538	4.804	50	20	DJGD	
N#C/C(=C\c1cccc(CCl)c1)C(=O)c1cc2ccccc2o1	799890377	JWANINIXQSZIGN-CXUHLZMHSA-N	321.763	4.961	50	20	DJGD	
CCCCCC(C)=NNC(=O)c1ccc(Cl)cc1Cl	818260914	SCWXKRFTZCKXET-UHFFFAOYSA-N	301.217	4.679	50	20	DJGD	
CC(C)c1ccc(/C=C(/C#N)C(=O)N(C)C2CCCCC2)cc1	903254150	QCSWWGIEEJETKQ-AQTBWJFISA-N	310.441	4.508	50	20	DJGD	
Cc1csc(/C(C#N)=C/c2cc(F)cc(C(F)(F)F)c2)n1	157216669	YBCXJTQXICKHBF-WTDSWWLTSA-N	312.291	4.674	50	20	DJGD	
COc1ccc(Cl)cc1/C=C(\C#N)C(=O)c1ccc(C)s1	729819774	DZWWYNYSHOQKRJ-KPKJPENVSA-N	317.797	4.508	50	20	DJGD	
N#C/C(=C\c1ccsc1Cl)C(=O)c1ccc(Cl)s1	790098828	AQFAIMUKBNSGNW-VMPITWQZSA-N	314.218	4.906	50	20	DJGD	
C/C(=C\c1cccc(Cl)c1)C(=O)NNc1cc(C)cc(C)c1	759658029	PCDOHHYNVZXAEO-GXDHUFHOSA-N	314.816	4.503	50	20	DJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1cccc2cc[nH]c12	772727456	DPSFDMIVBNKXFS-CYBMUJFWSA-N	320.483	4.821	50	20	DJGD	
N#C/C(=C/c1cccc(F)c1)C(=O)c1cccc(C(F)(F)F)c1	780374202	KVFOSCFFBLRWNV-QPEQYQDCSA-N	319.257	4.634	50	20	DJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2ccc(OC(C)C)cc2)c1	918713467	KRPANBIOVGXGIE-UNOMPAQXSA-N	319.404	4.881	50	20	DJGD	
CC(=C/c1ccccc1)/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1	447463	MFRBNPQLHHHXNA-ILYHAJGMSA-N	322.795	4.832	50	20	DJGD	
Cc1cc(C)c(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1C	23724079	HIVHGGTXHRBANW-YBFXNURJSA-N	318.420	4.774	50	20	DJGD	
CC(C)C1CCC(=NNC(=O)c2ccc3ccccc3c2)CC1	729637584	PFURTLBBSHCALC-UHFFFAOYSA-N	308.425	4.772	50	20	DJGD	
CC(C)(C)c1ccc(/C=C(/C#N)C(=O)c2ccccc2F)cc1	732577394	XUQZDLJAPJFKKZ-QINSGFPZSA-N	307.368	4.913	50	20	DJGD	
N#C/C(=C\c1cc(Br)cs1)C(=O)C1CCCCC1	767715719	XSYMIJQMSASKCK-IZZDOVSWSA-N	324.243	4.567	50	20	DJGD	
Cc1cc(/C(C#N)=C\c2ccc(Cl)cc2F)ccc1[N+](=O)[O-]	782206915	LUBDIAPWAGFKEF-QPEQYQDCSA-N	316.719	4.760	50	20	DJGD	
N#C/C(=C\c1ccsc1Cl)C(=O)c1cccc(Cl)c1	790100871	SYOCVIWSBWDCIW-IZZDOVSWSA-N	308.189	4.845	50	20	DJGD	
CCCCn1nc(C)c(/C=C(/C#N)C(=O)C(C)(C)CC)c1Cl	794874997	QKKWJXDDSZUMEY-RAXLEYEMSA-N	321.852	4.557	50	20	DJGD	
N#C/C(=C\c1cc2cc(Cl)cnc2o1)C(=O)C1CCCCC1	834430327	LDFIGZWFRHLOSC-MDWZMJQESA-N	314.772	4.538	50	20	DJGD	
CCCCCC[C@@H]1CCCC1=NNC(=O)c1ccc(OC)cc1	1318237320	TUXIYDMLGSOQKR-OAHLLOKOSA-N	316.445	4.552	50	20	DJGD	
N#C/C(=C/c1ccc(SC(F)(F)F)cc1)c1ccccn1	82071437	OTMMRQPPHJVQFL-XFXZXTDPSA-N	306.312	4.758	50	20	DJGD	
Cc1ccc(-c2csc(/C(C#N)=C\c3cncs3)n2)cc1	767720600	FRXRGJIDBNNIOP-MLPAPPSSSA-N	309.419	4.639	50	20	DJGD	
CC(C)(C)c1ccc(NNC(=O)c2sccc2C2CC2)cc1	780802071	DBBYBXOGDMOBED-UHFFFAOYSA-N	314.454	4.680	50	20	DJGD	
CC(C)=CCC/C(C)=C/C=NNC(=O)c1cc2c(s1)CCC2	916315468	UJRAHRHBCNPXDK-YLCOBTLKSA-N	316.470	4.645	50	20	DJGD	
N#C/C(=C/c1c(Cl)cccc1Cl)C(=O)c1ccc(F)cc1	213512161	QRLKIEORIXUGRD-FLIBITNWSA-N	320.150	4.922	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C\c3cc(Cl)ccc3F)[nH]c12	753687794	RUBNXPVLTVWZJM-GHXNOFRVSA-N	311.747	4.728	50	20	DJGD	
CC[C@H](C)c1ccc(C(=O)NNc2cccc(Cl)c2)cc1	755108565	LJCNBKXNWSNZHW-LBPRGKRZSA-N	302.805	4.610	50	20	DJGD	
CCN(C(=O)CCCC[C@H]1CCSS1)C1CCCCC1	914759262	VWNQYXNBNZPMDC-HNNXBMFYSA-N	315.548	4.882	50	20	DJGD	
CCc1ccc2nc(C(C)(C)CCCCCl)nc(O)c2c1	1320800159	PVLMJXHWMXREKB-UHFFFAOYSA-N	306.837	4.585	50	20	DJGD	
COc1ccc(/C=C(/C#N)C(=O)c2cc3ccccc3o2)cc1C	810207756	NSWBIEVEBHDXRQ-YBEGLDIGSA-N	317.344	4.540	50	20	DJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)s2)c(C)c1	5961324	SVMAFZJCFAUGBU-XYOKQWHBSA-N	316.813	4.564	50	20	DJGD	
Cc1ncccc1/C=C(\C#N)c1nc2cc(Cl)ccc2s1	171419185	XLBDOVWVUXEOAZ-KPKJPENVSA-N	311.797	4.717	50	20	DJGD	
Cc1ccc(F)c(/C=C(\C#N)c2nc(-c3ccncc3)cs2)c1	172215539	ZYJFOZMTAJBWMT-OQLLNIDSSA-N	321.380	4.717	50	20	DJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(Cl)c(C(F)(F)F)c1	727266906	JMVOBMGMSFODJA-ISAHRAOESA-N	315.722	4.881	50	20	DJGD	
Cc1cc(/C=C(/C#N)c2ccc3ccccc3n2)cnc1Cl	760261763	GZWDNSJQFVTGDX-DHDCSXOGSA-N	305.768	4.656	50	20	DJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)c1cc2ccccc2s1	788332607	SIHJAECYLZYVCI-ZROIWOOFSA-N	307.349	4.830	50	20	DJGD	
Cc1cc(C)c(NNC(=O)c2cccc(C3CCC3)c2)c(C)c1	798981302	GKHQRINFEXBSOV-UHFFFAOYSA-N	308.425	4.636	50	20	DJGD	
CCC(CC)N(CC)C(=O)CCCC[C@H]1CCSS1	813857519	WVAKTUCKVDOWLJ-AWEZNQCLSA-N	303.537	4.738	50	20	DJGD	
CC(C)C1CCN(C(=O)CCCC[C@H]2CCSS2)CC1	742116220	MNGDQCDIJILSFX-HNNXBMFYSA-N	315.548	4.595	50	20	DJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)cc1F	783688160	VIWPTHJFNSHANI-WDZFZDKYSA-N	305.761	4.639	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cscc1C(F)(F)F	811628343	VAUDZYDTZDRFKM-UITAMQMPSA-N	301.333	4.679	50	20	DJGD	
Cc1cccc(Cl)c1C(=O)NNc1ccc(C(C)(C)C)cc1	828840624	UVJQYPZZJIEYAL-UHFFFAOYSA-N	316.832	4.703	50	20	DJGD	
CC(=NNC(=O)c1cc2c(s1)CC[C@H](C)C2)C1CCCCC1	916353211	DONFQVZXFWKLEY-LBPRGKRZSA-N	318.486	4.559	50	20	DJGD	
O=C(CCCC[C@@H]1CCSS1)N1CCCc2ccccc21	302688905	NHIUOSWKQWSODF-OAHLLOKOSA-N	321.511	4.680	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(N2CCCCC2)cc1	726117556	ACLKIWRFCPFMFA-JXAWBTAJSA-N	310.441	4.589	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc2cc(OC)ccc2c1	741470577	RUIAQCJARAJVKL-BGARDKSCSA-N	307.393	4.761	50	20	DJGD	
C[C@@H](C#N)OCCNc1cccc(S(F)(F)(F)(F)F)c1	690188316	RPSGIWSWWYFJOZ-VIFPVBQESA-N	316.295	4.685	50	20	DJGD	
N#C/C(=C/c1c(F)cccc1F)c1nc2cc(F)ccc2s1	730148999	RMRUUOJSPDZBNL-TWGQIWQCSA-N	316.307	4.778	50	20	DJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(CC)s2)c1C	731211229	SUXGSVGZEZUUSC-RVDMUPIBSA-N	324.449	4.705	50	20	DJGD	
Cc1ccc2c(c1)N(C(=O)CCCC[C@@H]1CCSS1)CC2	746882926	NQSGWCGKXPRAGY-OAHLLOKOSA-N	321.511	4.598	50	20	DJGD	
CC(C)c1ccc(/C=C(\C#N)C(=O)c2ccccc2)cc1[N+](=O)[O-]	915841311	AFTULVMXDLPAQQ-MHWRWJLKSA-N	320.348	4.508	50	20	DJGD	
N#C/C(=C\c1ccc2ccccc2c1)C(=O)OC1CCCCC1	14178819	DPRGNNNKQMULAU-QGOAFFKASA-N	305.377	4.623	50	20	DJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cc(Cl)c(OC)cc1Cl	753889764	SPFPMPCURIMVIV-BVBCSLMJSA-N	312.196	4.524	50	20	DJGD	
N#C/C(=C/c1ccc(C(F)(F)F)s1)C(=O)c1ccsc1	761387901	ZKUBGSXTFNSMIG-UITAMQMPSA-N	313.325	4.618	50	20	DJGD	
Cc1ccc(/C=C(\C#N)c2nc3ccccc3n2C)cc1Cl	766290878	ZIGPTEMINUWSAW-NTEUORMPSA-N	307.784	4.599	50	20	DJGD	
CCCN(N=Cc1cc2cc(F)ccc2o1)C(=O)OC(C)(C)C	794997053	NGFRQDFNCBSJPH-UHFFFAOYSA-N	320.364	4.553	50	20	DJGD	
CC(C)(C)c1ccc(C(=O)NNc2ccc(F)cc2)cc1Cl	810021827	NUANLICOIAWOAY-UHFFFAOYSA-N	320.795	4.534	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cscc1C(F)(F)F	811691092	JHITYSDWOCDWCS-UMYFRRCYSA-N	301.333	4.679	50	20	DJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccc(C)c(C)c2)c(C)c1	44022970	POZDWOPZUZIVMK-YBFXNURJSA-N	318.420	4.774	50	20	DJGD	
N#C/C(=C/C=C\c1ccccc1)c1nc(-c2ccncc2)cs1	96313971	DEHYIBBXSGXMLU-XWSNBJDESA-N	315.401	4.825	50	20	DJGD	
Cc1cc(Cl)cc(C)c1/C=C(\C#N)c1nc2c(C)ccnc2[nH]1	776189481	HBCVOACCVHBRFK-MDWZMJQESA-N	322.799	4.601	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H]1CC[C@H](C)C1	776299995	SKQYVCZNNFALMJ-WFASDCNBSA-N	316.470	4.759	50	20	DJGD	
C[C@H](NC(=O)CCCC[C@@H]1CCSS1)c1ccsc1	801115701	BSSYNFOIJBBXPX-WCQYABFASA-N	315.529	4.639	50	20	DJGD	
Cc1[nH]c2ccc(C(=O)NNc3ccc(C(C)C)cc3)cc2c1C	837056989	ARDZWKJYAWUOAX-UHFFFAOYSA-N	321.424	4.665	50	20	DJGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccc(-c2ccc(F)cc2)o1	916129412	IGADNLLOMNSLSZ-UVTDQMKNSA-N	321.307	4.777	50	20	DJGD	
Cc1cccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c1C	731155625	NBRZHVDGWTTYRH-MHWRWJLKSA-N	324.811	4.811	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cc(C(F)(F)F)ccc1F	741475391	ZLRXASQHOFDCTM-CEXMDJMXSA-N	313.294	4.757	50	20	DJGD	
Cc1ccc(NNC(=O)[C@@H](C)c2c(Cl)cccc2Cl)cc1	749192875	CMCARYAOUSCAKJ-NSHDSACASA-N	323.223	4.549	50	20	DJGD	
COc1cccc(C(=O)/C(C#N)=C\c2cc3ccccc3s2)c1	758419038	UNAJMMPIPUPGBY-PTNGSMBKSA-N	319.385	4.700	50	20	DJGD	
Cc1cccc(C)c1CNC(=O)CCCC[C@@H]1CCSS1	765662509	LFOYLFXSPYEUNM-OAHLLOKOSA-N	323.527	4.634	50	20	DJGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1Cl	779708355	ULQFNWSHUHNWDF-GDNBJRDFSA-N	310.784	4.503	50	20	DJGD	
CC(C)CCO[C@@H](CBr)c1ccc(Cl)cc1	71125316	NPDKFVIPJHJDPK-ZDUSSCGKSA-N	305.643	4.839	50	20	DJGD	
Cc1ccc(-c2nc(/C=C(\C#N)C(=O)CC(C)C)cs2)cc1	171019673	HBIDTQUSWSLDQN-OQLLNIDSSA-N	310.422	4.641	50	20	DJGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)c2cc3ccccc3o2)o1	733782929	KWKOGBTWUZABKR-SYLKQSLASA-N	317.344	4.939	50	20	DJGD	
CCSc1cccc(/C=C(\C#N)C(=O)c2cccc(F)c2)c1	772177996	DQOWJWMWSYQPBM-OQLLNIDSSA-N	311.381	4.728	50	20	DJGD	
CN1/C(=C/C=C(/C#N)C(=O)C2CCCC2)C(C)(C)c2ccccc21	781552630	BHYCYIVDPMBWRX-IYEWMPBZSA-N	320.436	4.507	50	20	DJGD	
C=CC[C@H]1CCCN(C(=O)CCCC[C@@H]2CCSS2)C1	855440075	DPSRJGXXGYRLGK-LSDHHAIUSA-N	313.532	4.515	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cccc(OC(C)C)c2)s1	105570537	YZIJRMJRFRUJHA-DHDCSXOGSA-N	311.406	4.634	50	20	DJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)c1cccnc1	183388244	YYZCEEOZKBXMMJ-UHFFFAOYSA-N	324.274	4.991	50	20	DJGD	
CN(C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1)C1CC1	184429000	SPFMBSXXGBGRBV-UHFFFAOYSA-N	316.295	4.970	50	20	DJGD	
N#C/C(=C/c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1	212694202	MYROLWSNJYPIPU-JYRVWZFOSA-N	319.257	4.634	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C\c1cccc(C)c1OC(F)F	777872115	NVLHQFXAEHXLLE-ZROIWOOFSA-N	307.340	4.509	50	20	DJGD	
CCC[C@H](C)C(=O)Nc1c(CC)cc(SC#N)cc1CC	175632799	XBVRSFPJPFORFN-LBPRGKRZSA-N	304.459	4.759	50	20	DJGD	
CC(C)(C)OC(=O)Oc1ccc([N+](=O)[O-])cc1-c1cccs1	105557858	LJKRDOARCVDZQF-UHFFFAOYSA-N	321.354	4.637	50	20	DJGD	
N#C/C(=C\c1ccc(-c2c(F)cccc2F)o1)c1ccccn1	172127711	ASIXFQDUEOXWQC-ZRDIBKRKSA-N	308.287	4.684	50	20	DJGD	
Cc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1C	731155693	PZZBINQPWSXGAL-GDNBJRDFSA-N	310.784	4.503	50	20	DJGD	
CCc1cccc(C)c1NNC(=O)c1ccc(F)c2ccccc12	799755219	VBODDSUZDFWSMW-UHFFFAOYSA-N	322.383	4.607	50	20	DJGD	
CC(=C\c1ccccc1C(F)(F)F)/C=C(/C#N)c1ccncn1	799891848	IMINHENWNCDYQM-DRIRWXSCSA-N	315.298	4.506	50	20	DJGD	
C[C@@H](NC(=O)CCCC[C@@H]1CCSS1)c1ccsc1	801115700	BSSYNFOIJBBXPX-DGCLKSJQSA-N	315.529	4.639	50	20	DJGD	
CCOc1cccc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)c1	812246922	WSEUNFCXILUXCF-JYRVWZFOSA-N	318.298	4.563	50	20	DJGD	
CC(C)(C)Cc1nnc(CCCC[C@H]2CCSS2)o1	1257858141	OGNGHEHGVGKGMS-NSHDSACASA-N	300.493	4.525	50	20	DJGD	
CSc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)cc1	16441506	RBTDSTPMBOYAJR-GXDHUFHOSA-N	318.401	4.680	50	20	DJGD	
Cc1nc(/C(C#N)=C\c2cccc(C(F)(F)F)c2)sc1C	125423330	VMLYVTWLZPQURW-SDQBBNPISA-N	308.328	4.843	50	20	DJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(N(C)c2ccccc2)cc1	726594755	PQVFWRLUQRRSPC-WDMNMGCXSA-N	318.420	4.977	50	20	DJGD	
C[C@@H](C(=O)NNc1cccc(Cl)c1)c1ccc2ccccc2c1	753285666	SYNMFKLJWMBLBC-CYBMUJFWSA-N	324.811	4.740	50	20	DJGD	
Cc1cc(/C(C#N)=C\c2ccc(C(F)F)cc2)ccc1[N+](=O)[O-]	794947299	WCUBNQLMHPRKCG-DHDCSXOGSA-N	314.291	4.905	50	20	DJGD	
Cc1oc(C(C)C)cc1C(=O)NNc1ccc(C(C)(C)C)cc1	803085440	PBFMJGPKEMDJME-UHFFFAOYSA-N	314.429	4.766	50	20	DJGD	
CC(/C=C(\C#N)c1ccccn1)=C\c1ccccc1OC(F)F	811685526	VIIMKYNASDEKSV-FVIOEUFFSA-N	312.319	4.693	50	20	DJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2nc(Cl)cs2)s1	797406466	GNXIJBRFHRHACD-YWEYNIOJSA-N	309.847	4.615	50	20	DJGD	
Cc1sccc1NC(=O)CCCC[C@@H]1CCSS1	870687234	ZQICJXJJZVQOND-LLVKDONJSA-N	301.502	4.709	50	20	DJGD	
Cc1nc(/C(C#N)=C\c2ccc(N3CCCCC3)cc2)sc1C	125396581	RDKKTQUPZIMGHT-ATVHPVEESA-N	323.465	4.814	50	20	DJGD	
N#C/C(=C/C1=Cc2ccccc2OC1)c1ccc2ccccc2n1	726743404	GFRPHQUIFZFVDG-PDGQHHTCSA-N	310.356	4.618	50	20	DJGD	
C[C@H](CCC(=O)NNc1ccc(Cl)c(F)c1)c1ccccc1	750429525	VWAXKGAQZOVCLY-GFCCVEGCSA-N	320.795	4.506	50	20	DJGD	
Cc1nc(/C(C#N)=C\c2nc3ccc(F)cc3s2)sc1C	761479754	NGOLPTXTURZSFJ-YHYXMXQVSA-N	315.398	4.573	50	20	DJGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3cc(F)ccc3C)n2)cc1	777872423	UMNRPLFBHNOWQZ-SXGWCWSVSA-N	319.339	4.557	50	20	DJGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1csc2ccccc12	125167549	NHOSLRWUUOGWQQ-GXDHUFHOSA-N	318.401	4.755	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc3c(c2)CC(C)(C)O3)s1	729820586	SKEAVLFJCPGOQX-OQLLNIDSSA-N	323.417	4.560	50	20	DJGD	
COc1ccc(-c2csc(/C(C#N)=C/c3occc3C)n2)cc1	742348641	BBLUVYFQNTVFJU-NTEUORMPSA-N	322.389	4.784	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(C)n(C3CC3)c2C)cc1	764892246	UKULDXSWTSXXRS-WQRHYEAKSA-N	304.393	4.538	50	20	DJGD	
CSc1cc(/C(C#N)=C\c2c(C)cc(Cl)cc2C)ncn1	773175532	FPMVXIJEGIABEP-SDQBBNPISA-N	315.829	4.533	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C\c2nc3c(s2)CCCC3)n1	776263208	BYWHKXUPOZHYBW-XFFZJAGNSA-N	315.467	4.666	50	20	DJGD	
CCOc1c(Cl)cccc1/C=C(/C#N)C(=O)c1ccccc1	779220927	LKJHIIMJADVNOZ-PTNGSMBKSA-N	311.768	4.529	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(Cl)cc2F)s1	782197713	WQESAYBSSQWGQE-IZZDOVSWSA-N	305.761	4.639	50	20	DJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2ccc(OC)c(C)c2)cc1	810203162	XBIBGGIGLOGJMS-UYRXBGFRSA-N	319.404	4.746	50	20	DJGD	
Cc1ccc(NNC(=O)c2cccc3ccsc23)cc1Cl	1320288864	FWAYIIVBYCCLIC-UHFFFAOYSA-N	316.813	4.620	50	20	DJGD	
Cc1ccc(-c2csc3nc([C@H](C)Cl)[nH]c(=O)c23)cc1C	20362952	CIDNFRUARZUWBW-JTQLQIEISA-N	318.829	4.568	50	20	DJGD	
CCc1ccc(/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)s1	731155827	URJPHLGKDUQSEW-RAXLEYEMSA-N	320.417	4.890	50	20	DJGD	
Cc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1Cl	766289721	QTWUVVPUJDQQIP-SXGWCWSVSA-N	324.811	4.811	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(Cl)c(C)c2)s1	779703477	IADMBEOAXJJTED-JYRVWZFOSA-N	301.798	4.808	50	20	DJGD	
CC(C)(C)C(=O)/C(C#N)=C\c1cc(Cl)ccc1OCC1CC1	797398399	MSNRKILZRBZGHM-ZSOIEALJSA-N	317.816	4.651	50	20	DJGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1ccsc1C(F)(F)F	863182104	AFTVBCVHIDTYHD-POHAHGRESA-N	301.333	4.679	50	20	DJGD	
Cc1cccc(NNC(=O)C2(c3ccc(C(C)C)cc3)CCC2)c1	1116019392	BYWZLDDQTLICTG-UHFFFAOYSA-N	322.452	4.683	50	20	DJGD	
CCSc1cccc(/C=C(/C#N)c2nc3ccccc3n2C)c1	588488672	GRBFUEJATXBNNY-PTNGSMBKSA-N	319.433	4.749	50	20	DJGD	
Cc1cc(/C=C(\C#N)C(=O)c2cc3ccccc3o2)ccc1F	729151206	SYNSQWXEDGXCSA-OQLLNIDSSA-N	305.308	4.670	50	20	DJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2occc2C)cc1	742349519	GIMABKDKWMXGBO-KWWJGWKXSA-N	308.381	4.647	50	20	DJGD	
Cc1csc(C(=O)NNc2ccc(C(C)(C)C)cc2)c1Cl	790867216	PBQSPCWEJVTMKY-UHFFFAOYSA-N	322.861	4.764	50	20	DJGD	
Cc1cc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)ccc1C#N	797399642	VBZBQIQYKLQTLQ-OVCLIPMQSA-N	307.422	4.685	50	20	DJGD	
CCc1cccc(C)c1NNC(=O)c1ccc(Cl)cc1Cl	799754500	KJYSSNUAWFZXGB-UHFFFAOYSA-N	323.223	4.621	50	20	DJGD	
CC[C@H](OC(=O)CCCC[C@H]1CCSS1)C(F)(F)F	835649231	LERVPHFLXPBQFS-UWVGGRQHSA-N	316.410	4.585	50	20	DJGD	
CC(C)[C@H](CC(=O)NNc1cccc(Cl)c1)c1ccccc1	728515872	XCGGKKHJVHBPJG-KRWDZBQOSA-N	316.832	4.613	50	20	DJGD	
N#C/C(=C\c1ccc2c(c1)CCC2)C(=O)c1ccc2ncccc2c1	1339668962	CTYDSKYOTZXALD-UDWIEESQSA-N	324.383	4.513	50	20	DJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2Cl)c1C	20823658	KWNKUVMWBAHEMN-XNTDXEJSSA-N	310.784	4.503	50	20	DJGD	
Cn1c(/C(C#N)=C/c2csc3ccccc23)nc2ccccc21	125178244	SZESVKAYLLNNGK-JLHYYAGUSA-N	315.401	4.852	50	20	DJGD	
CSc1ccc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)cc1	735617194	UBZFBLTVIRFUAT-GXDHUFHOSA-N	305.406	4.657	50	20	DJGD	
CC[C@@H](C(=O)NNc1ccc(C(C)(C)C)cc1)c1ccccc1	780802256	HGUIBHKVCHCHLW-GOSISDBHSA-N	310.441	4.621	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(F)c(C(F)(F)F)c1	794874999	QLETXAHAQGCTEM-YRNVUSSQSA-N	313.294	4.757	50	20	DJGD	
CN(CCO[Si](C)(C)C(C)(C)C)C1CCC(F)(F)CC1	808759950	YNJQFNHVIQYISW-UHFFFAOYSA-N	307.501	4.518	50	20	DJGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccc(F)cc1C(F)(F)F	151371417	OUURBLYDFMKMGF-IZZDOVSWSA-N	323.245	4.536	50	20	DJGD	
N#C/C(=C/c1ccccc1C(F)(F)F)C(=O)c1ccc(F)cc1	212692899	DKUWNVSVLSIYMM-LCYFTJDESA-N	319.257	4.634	50	20	DJGD	
Cc1cccc(NC(=O)CCCC[C@@H]2CCSS2)c1C	248098377	NBJKTHFPNSBTOX-CQSZACIVSA-N	309.500	4.956	50	20	DJGD	
N#C/C(=C\c1cccc(-c2ccccn2)c1)C(=O)c1ccccc1	747689989	CFRMHWUSVDCSOR-XMHGGMMESA-N	310.356	4.538	50	20	DJGD	
N#C/C(=C\c1ccc(SC(F)(F)F)cc1)C(=O)c1ccoc1	752891895	VUVIWWJNOZPYFH-KPKJPENVSA-N	323.295	4.681	50	20	DJGD	
Cc1cc(Cl)ccc1C(=O)NNc1c(C)cccc1C(C)C	812770119	HTYGMGCPDLUXFQ-UHFFFAOYSA-N	316.832	4.837	50	20	DJGD	
CC[C@@H](C=NNC(=O)c1ccc2ccccc2c1)c1ccccc1	814810265	FICULYNVWMUFBA-INIZCTEOSA-N	316.404	4.749	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/c1csc(-c2ccsc2)n1	171019345	VYSBYVHVCCGDBC-NTUHNPAUSA-N	316.451	4.784	50	20	DJGD	
C=CCOc1ccc(/C=C(\C#N)C(=O)CC(C)(C)C)cc1Cl	727267403	SULJWIVPOUVAIS-NTEUORMPSA-N	317.816	4.817	50	20	DJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2cccc(C)c2C)c1C	731211002	HUYZSKJACBERRK-XDHOZWIPSA-N	318.420	4.698	50	20	DJGD	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)c2sccc2C)cc1	915989599	CCMDCWJWEMMZDQ-VBKFSLOCSA-N	324.449	4.693	50	20	DJGD	
C[C@H](Sc1ccccc1)c1ccc(NC(=O)CCl)cc1	1320465362	GBKGFZXEDDQNJE-LBPRGKRZSA-N	305.830	4.717	50	20	DJGD	
BrCCOc1ccc(/N=N/c2ccccc2)cc1	214497026	ZTVXFNRCJJIOHK-WUKNDPDISA-N	305.175	4.876	50	20	DJGD	
BrCc1c(-c2cccs2)n[nH]c1C1CCCC1	409443774	UDHZFAFCYSIXPS-UHFFFAOYSA-N	311.248	4.691	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1csc(Cl)c1Cl	761480245	QOISSBKXPXQLGW-HXOPTJOXSA-N	302.226	4.967	50	20	DJGD	
N#C/C(=C\c1ccc2occc2c1)C(=O)c1ccc(Cl)s1	794690783	JWJUTBRTOMJKSL-XYOKQWHBSA-N	313.765	4.938	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccsc1C(F)(F)F	863184613	NMCMKJZTEHPYBV-YRNVUSSQSA-N	301.333	4.679	50	20	DJGD	
CC[C@@H]1CCCC[C@@H]1NC(=O)CCCC[C@@H]1CCSS1	915084417	JOYGUBVGJJIPDF-KFWWJZLASA-N	315.548	4.786	50	20	DJGD	
CCCCC(CC)=NNC(=O)c1c(Cl)cccc1Cl	732924630	BDGJFOJVNCLQBD-UHFFFAOYSA-N	301.217	4.679	50	20	DJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(-c2c(F)cccc2F)o1	734368922	ZQGDCXGIWSGRKS-ZGSOTFDTSA-N	315.319	4.747	50	20	DJGD	
Cc1oc2ccccc2c1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1	759072058	JIMVDBMUNTXLHR-GXDHUFHOSA-N	304.305	4.714	50	20	DJGD	
Cc1cc(C)cc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)c1	921259137	IRDWJQNAUUELDD-YBFXNURJSA-N	318.420	4.774	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(CSC(F)F)o1	171093566	OMLSNBZRRAODCW-YRNVUSSQSA-N	313.369	4.648	50	20	DJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)c1ccncc1	183388223	MONPNTXDEICWJU-UHFFFAOYSA-N	324.274	4.991	50	20	DJGD	
N#C/C(=C\c1cc(Cl)cs1)C(=O)c1ccc(Cl)s1	195228875	UBGPKCASZDEMSL-XVNBXDOJSA-N	314.218	4.906	50	20	DJGD	
Cc1csc(/C(C#N)=C\c2cc(C(F)(F)F)ccc2F)n1	255049046	MNHNBQGGZVMBFT-WMZJFQQLSA-N	312.291	4.674	50	20	DJGD	
COCc1ccc(/C=C(\C#N)c2nc3cc(F)ccc3s2)cc1	741841633	NHBYGKLNUPAMDF-RIYZIHGNSA-N	324.380	4.646	50	20	DJGD	
COc1cc(/C=C(\C#N)c2ccc3ccccc3n2)ccc1C	773123813	GJRKYNUBCSXPQM-GZTJUZNOSA-N	300.361	4.616	50	20	DJGD	
O=C(NNc1cccc2c1CCCC2)c1ccc(C2CCC2)cc1	790803079	CWWHIVKQPSHRDN-UHFFFAOYSA-N	320.436	4.590	50	20	DJGD	
N#C/C(=C/c1cccc(CCl)c1)c1nc(-c2ccccc2)no1	799890530	PHEPUNKCMBRAEC-YBEGLDIGSA-N	321.767	4.540	50	20	DJGD	
N#Cc1ccc(C(=O)/C=C/c2cccc(CCl)c2)c(Cl)c1	799893975	YGGCUVOFGVUHMG-FNORWQNLSA-N	316.187	4.847	50	20	DJGD	
Cc1ccoc1/C=C(\C#N)c1nc(-c2ccc(C#N)cc2)cs1	742349400	OBRUZUNBILSYGK-OVCLIPMQSA-N	317.373	4.647	50	20	DJGD	
CCN(CC#N)Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	792868805	WYDNQGSHRSAIHT-UHFFFAOYSA-N	318.537	4.554	50	20	DJGD	
CC(=C/c1ccccc1C(F)(F)F)/C=C(\C#N)C(=O)C(C)C	799890944	FRZYIKLVFPRWEV-WNEGCBGQSA-N	307.315	4.784	50	20	DJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccccc2)c2ccccc12	915981673	WCNQOKUIZJUXQX-GHRIWEEISA-N	313.356	4.638	50	20	DJGD	
Cc1ccc(C)c(NNC(=O)[C@@H](C)c2ccc3ccccc3c2)c1	748426530	ALQTURHNMUCHCK-INIZCTEOSA-N	318.420	4.703	50	20	DJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cscc2Cl)c1	771838256	NRYPRMCXOSMRQJ-MLPAPPSSSA-N	301.798	4.808	50	20	DJGD	
CC1(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)CCCC1	785881459	FKBVWUJLPWUBOY-UHFFFAOYSA-N	321.635	4.670	50	20	DJGD	
COCc1csc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)c1	849178868	IAQRJMLFUSXWSH-WUXMJOGZSA-N	318.467	4.713	50	20	DJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(C(C)(C)C)cc2)cc1	7211490	JXEZCCCVBLPGLV-GHRIWEEISA-N	319.404	4.783	50	20	DJGD	
COc1ccsc1/C=C(\C#N)c1nc2cc(F)ccc2s1	764417862	PJCRZZJZNUOEOD-RMKNXTFCSA-N	316.382	4.570	50	20	DJGD	
CC(=C/c1ccccc1)/C=C(/C#N)C(=O)c1ccc2ncccc2c1	794964366	BNIHPQATADVFNI-BLGUCIKASA-N	324.383	4.971	50	20	DJGD	
N#C/C(=C\c1cccc(F)c1)C(=O)c1c(Cl)cccc1Cl	44028241	TZODGCOFOWICLR-YRNVUSSQSA-N	320.150	4.922	50	20	DJGD	
N#C/C(=C\c1cnc(C2CCCC2)s1)C(=O)c1ccsc1	178299238	JZQMQJKWTXEPSH-NTUHNPAUSA-N	314.435	4.652	50	20	DJGD	
CCc1oc2ccccc2c1/C=C(/C#N)c1ccc([N+](=O)[O-])cc1	212079449	OMTXIEYWLVNOMA-KAMYIIQDSA-N	318.332	4.968	50	20	DJGD	
CCCOc1ccc(/C=C(/C#N)C(=O)c2ccc(C)s2)cc1	729819993	IZYYNODGVPBRLY-PTNGSMBKSA-N	311.406	4.635	50	20	DJGD	
Cc1ncsc1/C=C(\C#N)C(=O)c1c(Cl)cccc1Cl	742432954	KKZSSHOFUFIETF-WEVVVXLNSA-N	323.204	4.548	50	20	DJGD	
Cc1ccc(/C=C(/C#N)c2nc3ccccc3n2C)cc1Cl	766290881	ZIGPTEMINUWSAW-ZROIWOOFSA-N	307.784	4.599	50	20	DJGD	
Cc1ccsc1/C=C(\C#N)C(=O)c1cccc(C(F)(F)F)c1	780526455	FLNFANZZUQCNFF-XYOKQWHBSA-N	321.323	4.865	50	20	DJGD	
N#C/C(=C\c1ccc(F)cc1C(F)(F)F)C(=O)C1CCCC1	781554930	BDIOCAHISUZKSB-KPKJPENVSA-N	311.278	4.511	50	20	DJGD	
N#C/C(=C\c1ccc(C#N)cc1)C(=O)c1cc2ccccc2s1	788326835	HKLWJFROJCEKQA-CXUHLZMHSA-N	314.369	4.563	50	20	DJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccc3ncccc3c2)c(C)c1	794884661	KKSLASKVFOBBGK-ODLFYWEKSA-N	312.372	4.642	50	20	DJGD	
Cc1ccc(-c2noc(/C(C#N)=C/C=C/c3ccccc3)n2)cc1	7212199	DZANZYAULZRMMJ-HYZSBJHASA-N	313.360	4.665	50	20	DJGD	
COc1ccc(/C=C(\C#N)c2ccccn2)cc1OCCC(C)C	195088845	ICDBBDPJUMMFFX-SFQUDFHCSA-N	322.408	4.579	50	20	DJGD	
N#C/C(=C/c1coc2ccccc12)C(=O)c1cc(F)cc(F)c1	588597782	YZYCFNOSKKGSAO-XGICHPGQSA-N	309.271	4.501	50	20	DJGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)cc1	726120152	KMLYRXXAIOBGCU-CPNJWEJPSA-N	319.404	4.788	50	20	DJGD	
Cc1ccccc1-c1cccc(/C=C(\C#N)C(=O)OC(C)C)c1	729641565	NOXWBMUWDCMIDW-LDADJPATSA-N	305.377	4.521	50	20	DJGD	
N#C/C(=C/c1cscc1Cl)C(=O)c1cc2ccccc2o1	771837675	LCKMPTQEQOHJNH-WZUFQYTHSA-N	313.765	4.938	50	20	DJGD	
N#C/C(=C\c1cc(F)cc(F)c1)C(=O)c1ccc(F)c(Cl)c1	773155777	ZZYDKNNXYYUATO-QDEBKDIKSA-N	321.685	4.547	50	20	DJGD	
CC(C[C@H](C)CC(C)C)=NNC(=O)c1cc2ccccc2o1	779774695	KELJLDUSPCTZAB-CYBMUJFWSA-N	300.402	4.611	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cccc(C)c1OC(F)F	794873924	IGCLNAAEKKKDGF-UKTHLTGXSA-N	307.340	4.509	50	20	DJGD	
N#C/C(=C/c1cc2ccccc2o1)C(=O)c1cccc(Cl)c1	810217740	BBELSNWHVSAZDG-UVTDQMKNSA-N	307.736	4.876	50	20	DJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2cc3ccccc3o2)cc1C	915986102	VBXGQJCLHYTUFD-LICLKQGHSA-N	301.345	4.840	50	20	DJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(C)c(F)c2)c1C	731489642	INFQJWCWJAPJEY-YVLHZVERSA-N	324.399	4.752	50	20	DJGD	
CC(C)[C@H](C)N(C(=O)CCCC[C@@H]1CCSS1)C1CC1	746517157	KUJULJCIQOHPRJ-DZGCQCFKSA-N	315.548	4.736	50	20	DJGD	
CCCCCC(C)=NNC(=O)c1cc2c(s1)CCCCC2	818262555	PKZWDCHUANFWPT-UHFFFAOYSA-N	306.475	4.703	50	20	DJGD	
N#C/C(=C\c1ccc(OC(F)F)cc1)c1nc(C2CC2)cs1	864095840	HLCLXVOQCMDUST-KPKJPENVSA-N	318.348	4.686	50	20	DJGD	
Cc1cccc(CN(C)C(=O)CCCC[C@H]2CCSS2)c1	914452775	VZBHDWOYOCJECI-INIZCTEOSA-N	323.527	4.668	50	20	DJGD	
N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)c1ccsc1	44027997	WAWHBLRBVUOJKV-WUXMJOGZSA-N	307.296	4.557	50	20	DJGD	
COc1cccc(C(=O)/C(C#N)=C\c2c(C)oc3ccccc23)c1	759031833	CGTDIRPBGFUACM-PTNGSMBKSA-N	317.344	4.540	50	20	DJGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc([C@@H]3C[C@@H]3C)o2)cc1	8117397	HFBWLFDROYZCLW-QSOCSOLZSA-N	320.392	4.511	50	20	DJGD	
N#C/C(=C\c1cc2cc(F)ccc2o1)C(=O)c1ccc(F)cc1	132564454	IIAPTJHBIICLQL-UKTHLTGXSA-N	309.271	4.501	50	20	DJGD	
Cc1ccccc1COc1c(C)cc(C=C(C#N)C#N)cc1C	734753365	TXRFKJKUHWAMBL-UHFFFAOYSA-N	302.377	4.621	50	20	DJGD	
Cc1nc(/C(C#N)=C/c2ccc(Br)cc2)sc1C	741473414	IFZALZQZAVUUGF-KPKJPENVSA-N	319.227	4.587	50	20	DJGD	
C/C(=C\C(=O)NNc1cc(C)cc(C)c1)c1cccc(Cl)c1	748380784	SUGJALXDKOFBOA-GXDHUFHOSA-N	314.816	4.503	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(C(F)(F)F)s2)cc1	761385338	LRLDILBETMWORE-XYOKQWHBSA-N	321.323	4.865	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2ccc3occc3c2)c1C	794692151	SGLPYSLZKPKAMQ-BOPFTXTBSA-N	301.345	4.840	50	20	DJGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1csc2ccccc12	810197834	XPFDCRQGKJKHBH-YZJMHRKOSA-N	324.449	4.503	50	20	DJGD	
N#CC(=C/c1cccs1)/C(O)=N/c1ccccc1C(F)(F)F	35363749	BYJOXTNKTQQRJB-NTMALXAHSA-N	322.311	4.962	50	20	DJGD	
Cc1csc(/C(C#N)=C\c2csc(Cl)c2Cl)n1	761391256	HOAAJWXQDRCINH-UQCOIBPSSA-N	301.223	4.884	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(C(F)(F)F)s1	761481100	VPFWJHNEUODRDM-HZAKCSEPSA-N	301.333	4.679	50	20	DJGD	
CCc1cccc2c(/C=C(/C#N)C(=O)c3ccc(C)cc3)c[nH]c12	764891971	PVLJKQZKNJTEFC-BOPFTXTBSA-N	314.388	4.829	50	20	DJGD	
Cc1ccc2c(c1)CCN2C(=O)CCCC[C@@H]1CCSS1	773381863	VZIZQADZNDZXPX-OAHLLOKOSA-N	321.511	4.598	50	20	DJGD	
N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F	8201801	KTHSJDHUDKENHP-XYOKQWHBSA-N	319.257	4.634	50	20	DJGD	
N#C/C(=C/c1cccc(OCc2ccccc2)c1)c1ccccn1	12367854	UDTWCBBGTGUJKH-UYRXBGFRSA-N	312.372	4.725	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(C(F)(F)F)cc2)cc1	764888260	VGGVDNDIQRQNIV-GDNBJRDFSA-N	315.294	4.804	50	20	DJGD	
N#C/C(=C\c1cccc(F)c1F)C(=O)c1ccc(F)c(Cl)c1	773153464	FYNZZDCFTHCESC-IZZDOVSWSA-N	321.685	4.547	50	20	DJGD	
C[C@@H]1OCC[C@H]1Nc1cccc(S(F)(F)(F)(F)F)c1	184034892	PRYVQQNRHLEIAV-GZMMTYOYSA-N	303.296	4.933	50	20	DJGD	
Cc1cccc(NNC(=O)c2cccc(Oc3ccccc3)c2)c1	215784997	XWXHRAVVERXITC-UHFFFAOYSA-N	318.376	4.544	50	20	DJGD	
CCCn1cccc1/C=C(\C#N)c1nc2cc(F)ccc2s1	730259656	AWAKRDVKKFOSIO-FMIVXFBMSA-N	311.385	4.711	50	20	DJGD	
O=C(NN=Cc1cccs1)Nc1ccc(-c2ccccc2)cc1	741766616	YLAYLIISMDSMGM-UHFFFAOYSA-N	321.405	4.571	50	20	DJGD	
Cc1cccc(/C=C(\C#N)C(=O)c2ccc(Cl)cc2F)c1C	773150122	LWAGLJQWKHOCCC-RIYZIHGNSA-N	313.759	4.886	50	20	DJGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(C(F)F)cc2)cc1	780809878	ZKQCUKLFRFYTPV-UHFFFAOYSA-N	318.367	4.679	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc2cc(OC)ccc2c1	794874021	IRLQBIIZMAHYGG-BOPFTXTBSA-N	307.393	4.761	50	20	DJGD	
Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)C(C)C)cc2)cc1	915990970	UKQDVTHWDHTTSB-UNOMPAQXSA-N	319.404	4.706	50	20	DJGD	
N#C/C(=C/c1ccc2c(c1)CCC2)c1nc2cc(F)ccc2s1	1322089997	RDCSXDFTXCAUPY-DHDCSXOGSA-N	320.392	4.988	50	20	DJGD	
Cc1ccc(F)c(/C=C(\C#N)C(=O)c2cc3ccccc3o2)c1	734981277	QGQOIDQBDXIZIG-OQLLNIDSSA-N	305.308	4.670	50	20	DJGD	
CCCCCCCC(C)=NNC(=O)c1cc(Cl)ccc1O	744772830	CDHYNIUAPIWRJY-UHFFFAOYSA-N	310.825	4.512	50	20	DJGD	
N#C/C(=C\c1cccc(Br)c1)C(=O)C1CCCCC1	767714459	PVIFIIUHCWXJSQ-NTEUORMPSA-N	318.214	4.505	50	20	DJGD	
CCc1ccc(/C=C(\C#N)C(=O)c2cccc(C(F)(F)F)c2)o1	780375033	RXKLHVCDQNYUPS-FMIVXFBMSA-N	319.282	4.651	50	20	DJGD	
COc1ccc2cc(/C=C(\C#N)C(=O)C3CCCC3)ccc2c1	781554431	PDAWUZJPOWTISH-WOJGMQOQSA-N	305.377	4.515	50	20	DJGD	
COc1ccc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)cc1C	797399131	OMIJIFHPGFFOHB-ZROIWOOFSA-N	312.438	4.822	50	20	DJGD	
CC(=C\c1ccccc1C(F)(F)F)/C=C(\C#N)C(=O)C(C)C	799890942	FRZYIKLVFPRWEV-MXOVAJDFSA-N	307.315	4.784	50	20	DJGD	
O=C(CCCC[C@H]1CCSS1)N(C1CCC1)C1CCC1	814167025	WGKPCXBQZRJVBW-HNNXBMFYSA-N	313.532	4.634	50	20	DJGD	
Cc1ccc(NNC(=O)c2ccc(C)c(C)c2Cl)cc1Cl	1342193473	NXMIVYRKGKGWPF-UHFFFAOYSA-N	323.223	4.676	50	20	DJGD	
Cc1csc(/C(C#N)=C\c2csc(-c3cccs3)n2)n1	71797096	FOGSFUANTFSFLA-YHYXMXQVSA-N	315.448	4.701	50	20	DJGD	
Cc1ccc(C)c(NNC(=O)c2sccc2-c2ccccc2)c1	127545738	RVIHBLADBCFVEC-UHFFFAOYSA-N	322.433	4.789	50	20	DJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)[C@H]1CC1(F)F	294922671	JJDPHLGLBPCCNS-MRVPVSSYSA-N	323.233	4.938	50	20	DJGD	
CCCCCCCC(C)=NNC(=O)c1cccc2ncccc12	730147075	MYGBQNBAFGBACG-UHFFFAOYSA-N	311.429	4.701	50	20	DJGD	
COc1cc(/C=C(\C#N)c2nc3cc(F)ccc3s2)ccc1C	772172269	PZRIHGSXKOUZGD-NTUHNPAUSA-N	324.380	4.817	50	20	DJGD	
CSc1cccc(NC(=O)NNc2ccccc2Cl)c1C	775396808	PZJPWMPGIRTIGE-UHFFFAOYSA-N	321.833	4.519	50	20	DJGD	
CCOc1ccc(/C=C(/C#N)c2ccc3ccccc3n2)cc1F	782328720	KEYZKTMCDLOHMX-WJDWOHSUSA-N	318.351	4.837	50	20	DJGD	
CCCCCC(C)=NNC(=O)c1cc2c(s1)CC[C@H](C)C2	818259548	HSDDHVIPXUDKEA-LBPRGKRZSA-N	306.475	4.559	50	20	DJGD	
CCCCCC(CCCCC)=NNC(=O)c1ccccc1O	743420411	BTRDQCUZHAHILH-UHFFFAOYSA-N	304.434	4.639	50	20	DJGD	
CCC(=NNC(=O)c1ccc2ccccc2c1)C1CCCCC1	750934675	NOXBHIGODYJYGG-UHFFFAOYSA-N	308.425	4.916	50	20	DJGD	
N#C/C(=C\c1ccc(Cl)cc1F)C(=O)c1c[nH]c2ccccc12	782197007	FEOXQDRDZWZEQA-KPKJPENVSA-N	324.742	4.750	50	20	DJGD	
COc1ccc(C)cc1/C=C(\C#N)C(=O)c1ccc(Cl)s1	783714988	RKZIAVGYBIRHDP-XYOKQWHBSA-N	317.797	4.508	50	20	DJGD	
CC[C@@H](C)C(=O)NN=Cc1ccc(-c2ccccc2Cl)s1	915975698	ATLATXCMTHACPZ-LLVKDONJSA-N	320.845	4.565	50	20	DJGD	
N#C/C(=C/c1ccc(-c2ccccc2)s1)C(=O)c1ccoc1	1326959595	CUGFKRXEECLVSQ-GDNBJRDFSA-N	305.358	4.798	50	20	DJGD	
N#C/C(=C/c1ccsc1)C(=O)c1c(Cl)cccc1Cl	44028243	LDKCEFKESIYRSI-POHAHGRESA-N	308.189	4.845	50	20	DJGD	
Cc1ncsc1/C=C(/C#N)C(=O)c1cc(Cl)cc(Cl)c1	255132275	AFTMNDCGWFQYJH-WMZJFQQLSA-N	323.204	4.548	50	20	DJGD	
CCn1c(C)cc(/C=C(/C#N)C(=O)c2cc(C)cc(C)c2)c1C	728286367	BTVNFHMIZPXWDT-ODLFYWEKSA-N	306.409	4.532	50	20	DJGD	
Cc1ccc(C)c(NNC(=O)c2ccc(-c3ccccc3)s2)c1	1324300647	ZWCROMNLUDWZRV-UHFFFAOYSA-N	322.433	4.789	50	20	DJGD	
CCCCCOc1ccc(/C=C(/C#N)C(=O)c2ccoc2C)cc1	211207551	VFZAWISAPMYPIS-LGMDPLHJSA-N	323.392	4.947	50	20	DJGD	
CC(C)CC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1	726119738	BYAFKAWGLJXZJY-CPNJWEJPSA-N	319.404	4.788	50	20	DJGD	
CCOc1ccc(/C=C(\C#N)c2nc3cc(F)ccc3s2)cc1	730148524	HVBARAMZWRWHHS-UKTHLTGXSA-N	324.380	4.898	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(F)cc1C(F)(F)F	794876023	ABZQOWVMCYSUJS-YRNVUSSQSA-N	313.294	4.757	50	20	DJGD	
Cc1ccc(-c2nc(/C=C(/C#N)c3nc(C)cs3)cs2)cc1	125399028	ITFXQYAOQFVDNU-AUWJEWJLSA-N	323.446	4.948	50	20	DJGD	
CC(CCC1CCCCC1)=NNC(=O)c1c[nH]c2ccccc12	731923344	GPHBBLRQFVVKLW-UHFFFAOYSA-N	311.429	4.634	50	20	DJGD	
Cc1ccc(-c2csc(/C(C#N)=C\c3scnc3C)n2)cc1	742432026	RMENWIBABLURPE-AUWJEWJLSA-N	323.446	4.948	50	20	DJGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1ccc(F)cc1C(F)(F)F	771839362	WNMJFWJZTNOCCP-IZZDOVSWSA-N	313.294	4.757	50	20	DJGD	
N#C/C(=C/c1cscc1Cl)C(=O)c1c[nH]c2ccccc12	771840349	JWQCVTUUQWXNHP-YHYXMXQVSA-N	312.781	4.673	50	20	DJGD	
Cc1cc(C)c(NNC(=O)c2ccc(C3CCC3)cc2)c(C)c1	790805233	ZWRBLAQSHRXIKI-UHFFFAOYSA-N	308.425	4.636	50	20	DJGD	
CCOc1c(Cl)cccc1/C=C(/C#N)C(=O)C(C)(C)CC	794875807	ZLIBGZFZOBZAQU-RAXLEYEMSA-N	305.805	4.651	50	20	DJGD	
C[C@@H](C#N)CNCc1cccc(S(F)(F)(F)(F)F)c1	893544857	OQYXGNYFKSJJLK-VIFPVBQESA-N	300.296	4.593	50	20	DJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2sccc2C)c(C)c1	2800834	MKHJZXAVURXFHP-DHDCSXOGSA-N	310.422	4.527	50	20	DJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccccc1Cl	23215152	GSRGNTUHDHUUBX-XNTDXEJSSA-N	310.784	4.503	50	20	DJGD	
C=CCC[C@H](C(=O)NNc1ccccc1Cl)c1ccccc1	779010241	JKPWKBVUNUXDRR-HNNXBMFYSA-N	314.816	4.533	50	20	DJGD	
N#C/C(=C/c1ccc(OC(F)F)cc1)c1ccc2ccccc2n1	917146465	NQOLMUVVUSPYTD-PTNGSMBKSA-N	322.314	4.900	50	20	DJGD	
CCCn1cccc1/C=C(\C#N)C(=O)c1cc(C)n(CCC)c1C	918184226	ICRFOFBZKCWKRW-GHRIWEEISA-N	323.440	4.516	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1coc(-c2ccc(C)cc2)n1	175327236	LRLKYXIJZBNJPI-KNGSKEOJSA-N	308.381	4.562	50	20	DJGD	
CC(C)[C@H]1CCCN(C(=O)CCCC[C@@H]2CCSS2)C1	781096156	WUUHUIWZLZAXIM-LSDHHAIUSA-N	315.548	4.595	50	20	DJGD	
CCc1oc2ccccc2c1/C=C(\C#N)c1nc2ccccc2[nH]1	7031497	OVHVLAOSYWHSJB-ACCUITESSA-N	313.360	4.936	50	20	DJGD	
Cc1csc(/C(C#N)=C/c2cnc(-c3cccs3)s2)n1	193862984	ITVNGSARYCANOO-BJMVGYQFSA-N	315.448	4.701	50	20	DJGD	
CCc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(C)ccc23)s1	731158631	FXISCIATGYXGOQ-LCYFTJDESA-N	320.417	4.890	50	20	DJGD	
CC(C)Oc1ccccc1/C=C(/C#N)c1nc(C2CC2)cs1	843264976	LJNUZIUOLZMZKU-DHDCSXOGSA-N	310.422	4.872	50	20	DJGD	
CC(C)Oc1cccc(/C=C(/C#N)c2nc(C3CC3)cs2)c1	843264979	LJQUSIYEQWMNLC-NVNXTCNLSA-N	310.422	4.872	50	20	DJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)c1C	5619836	OEXDNSYIPMQLQE-XNTDXEJSSA-N	310.784	4.503	50	20	DJGD	
N#C/C(=C/c1ccccc1F)C(=O)Nc1cccc2ccccc12	210549849	ILMLXIMJYGCKTJ-VBKFSLOCSA-N	316.335	4.525	50	20	DJGD	
COc1ccc(/C=C(/C#N)c2ccc3ccccc3n2)cc1Cl	741466827	AGVVWNBDTTYURQ-GDNBJRDFSA-N	320.779	4.961	50	20	DJGD	
CCCCc1oc2ccccc2c1/C=C(/C#N)c1ccncn1	758914598	HHBZGFSZWCHQAE-KAMYIIQDSA-N	303.365	4.630	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(C)c(Cl)c2)s1	766291322	XMYBGQWKQZMQRL-QPEQYQDCSA-N	301.798	4.808	50	20	DJGD	
Cc1cccc(/C=C(/C#N)C(=O)C2CCCCC2)c1OC(F)F	777871305	KPIIPUBVGJUAJJ-GDNBJRDFSA-N	319.351	4.653	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(N2CCCCC2)cc1	794873719	GOABUGMOANUANW-SAPNQHFASA-N	310.441	4.589	50	20	DJGD	
CCc1cccc(C)c1NNC(=O)c1cccc2ccsc12	799759510	PXJSFOITGIBXHV-UHFFFAOYSA-N	310.422	4.529	50	20	DJGD	
N#C/C(=C\c1cnc(-c2ccccc2)s1)C(=O)c1ccsc1	171158025	XNOBZCWQGLURAM-RIYZIHGNSA-N	322.414	4.661	50	20	DJGD	
N#C/C(=C\c1coc2ccccc12)C(=O)c1ccc2ncccc2c1	794885582	TYSYWJNKHFXLJW-LFIBNONCSA-N	324.339	4.771	50	20	DJGD	
O=C(CCCC[C@H]1CCSS1)NCCC1=CCCCC1	61498716	SIFXKDUXFXQEAW-HNNXBMFYSA-N	313.532	4.707	50	20	DJGD	
Cc1cc(Cl)ccc1/C=C(\C#N)c1nc(-c2ccccc2)no1	767352373	SEPGPOBPEJATOV-XNTDXEJSSA-N	321.767	4.763	50	20	DJGD	
N#C/C(=C/c1cccc(C(F)(F)F)c1)C(=O)C1CCCCC1	767713813	MKYPUMIJEZPUSV-ZROIWOOFSA-N	307.315	4.762	50	20	DJGD	
N#C/C(=C\c1cccc(CCl)c1)c1cc(C(F)(F)F)ccn1	812248077	CODVQBDFIAHPOM-NTUHNPAUSA-N	322.717	4.903	50	20	DJGD	
CCc1ccc([C@@H](C)CC(=O)NNc2cccc(Cl)c2)cc1	737787360	JYOFOBQWDOGOMP-ZDUSSCGKSA-N	316.832	4.539	50	20	DJGD	
CC(CCc1ccccc1)=NNC(=O)c1cccc2ccccc12	741465660	RSZWMTSQANTBIR-UHFFFAOYSA-N	316.404	4.578	50	20	DJGD	
Cc1ccc(-c2csc(/C(C#N)=C/c3ccc(C#N)o3)n2)cc1	742349316	DMGGJOUMTSCRMH-RIYZIHGNSA-N	317.373	4.647	50	20	DJGD	
Cc1cccc(C)c1/C=C(/C#N)C(=O)c1c[nH]c2ccccc12	755572290	MTUSTMGLCSPURA-GDNBJRDFSA-N	300.361	4.575	50	20	DJGD	
N#C/C(=C/C=C\c1ccccc1)C(=O)c1ccc(Cl)cc1F	773161590	GSKLCKFRIWFHGK-STIUHYITSA-N	311.743	4.825	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cnc(C(C)C)s2)cc1C	809147067	XVFUNMIMDXXUNR-OVCLIPMQSA-N	310.422	4.673	50	20	DJGD	
Cc1ccc(-c2ncc(/C=C(\C#N)C(=O)C3CCCC3)s2)cc1	781554796	WGHIDKILMMRHFE-MHWRWJLKSA-N	322.433	4.785	50	20	DJGD	
Cc1ccc(-c2ncc(/C=C(/C#N)C(=O)C3CCCC3)s2)cc1	781554797	WGHIDKILMMRHFE-YBEGLDIGSA-N	322.433	4.785	50	20	DJGD	
Cc1nc(/C(C#N)=C/C=C\c2ccc(F)c(F)c2)sc1C	794701229	LIUOJIUHHBFXHR-FBOMXQGKSA-N	302.349	4.659	50	20	DJGD	
C[C@H]1COC[C@H]1Nc1cccc(S(F)(F)(F)(F)F)c1	688009057	MQQUZYKCGYKEGY-GZMMTYOYSA-N	303.296	4.791	50	20	DJGD	
Cc1cccc2cc(/C=C(/C#N)C(=O)CC(C)C)c(Cl)nc12	726183981	PKQVKNKZGFBUEJ-DHDCSXOGSA-N	312.800	4.719	50	20	DJGD	
COC[C@H](C)CNCc1cccc(S(F)(F)(F)(F)F)c1	840973582	QJMBJNUTCJDBBC-SNVBAGLBSA-N	319.339	4.716	50	20	DJGD	
CCc1ccc(C)nc1NC(=O)CCCC[C@@H]1CCSS1	857306103	VVFBRVKFKUTOMW-CQSZACIVSA-N	324.515	4.605	50	20	DJGD	
C[C@H](CC(=O)NNc1ccccc1C(F)(F)F)CC(C)(C)C	916998838	WZOQWDZGHVPASQ-LLVKDONJSA-N	316.367	4.611	50	20	DJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)cs2)c(C)c1	195223567	SFXDYJMFWLIYMX-SDQBBNPISA-N	316.813	4.564	50	20	DJGD	
C/C=C(/CC)C(=O)Nc1c(CC)cc(SC#N)cc1CC	588570975	RWBIENIGJHSZJM-XGICHPGQSA-N	302.443	4.679	50	20	DJGD	
C[C@@H](CC(=O)NNc1cccc(C(F)(F)F)c1)CC(C)(C)C	728716647	JHUJBTRAJNBWCP-NSHDSACASA-N	316.367	4.611	50	20	DJGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(/C#N)C(=O)c2cc3ccccc3o2)o1	733782928	KWKOGBTWUZABKR-NYLOLIOWSA-N	317.344	4.939	50	20	DJGD	
N#C/C(=C\c1cccc2ccccc12)C(=O)c1cccc(F)c1	772179824	RTBBCIKESKFYIA-GZTJUZNOSA-N	301.320	4.769	50	20	DJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2ccc3cnccc3c2)c1	780005662	WBHMVHIRSOKVMR-JAIQZWGSSA-N	312.372	4.642	50	20	DJGD	
Cc1cc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)ccc1F	797398156	FFWSOJZZSKVECR-MDWZMJQESA-N	300.402	4.952	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(F)c(F)cc2F)cc1C	809145584	AQWNMLZBCDSRIS-NSIKDUERSA-N	315.294	4.511	50	20	DJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(F)c(C)c2)c1C	303234143	WMYRYULUWFPBHL-GZTJUZNOSA-N	324.399	4.752	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(C)c3ncccc3c2)cc1	764921332	ROCAUAJMSWXOKG-XDHOZWIPSA-N	312.372	4.642	50	20	DJGD	
N#C/C(=C\c1ccc(N2CCCCC2)cc1)C(=O)C1CCCCC1	767713002	IQUMCAATNOXTGK-XDJHFCHBSA-N	322.452	4.733	50	20	DJGD	
CC[C@@H](C)c1ccc(C(=O)NNc2ccc3ccccc3n2)cc1	777465149	GRUIFLDCDLOTDO-CQSZACIVSA-N	319.408	4.505	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cnc(-c2cccs2)s1	794955364	XEVKXOBNCGBRKX-DHZHZOJOSA-N	316.451	4.784	50	20	DJGD	
N#C/C(=C\c1ccc(Cl)s1)c1cc(C(F)(F)F)ccn1	812246664	RBGXWABNYODMCB-VMPITWQZSA-N	314.719	4.879	50	20	DJGD	
N#C/C(=C\c1ccc(OCC2CC2)cc1)c1nc(C2CC2)cs1	843264944	KWEBTNONJLJSJL-CXUHLZMHSA-N	322.433	4.873	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cc(Br)ccc1F	741470000	ONKXFNOUFYUYNW-VPMLRQHESA-N	324.193	4.500	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(Br)cc1F	741471349	ZHBKTHPBJRVSNA-VPMLRQHESA-N	324.193	4.500	50	20	DJGD	
N#C/C(=C/c1cc(F)c(F)cc1F)C(=O)c1cccc(Cl)c1	767716881	GXIURLONIXTOIM-WCIBSUBMSA-N	321.685	4.547	50	20	DJGD	
N#C/C(=C/C=C/c1ccccc1)C(=O)c1ccc(Cl)cc1F	773161592	GSKLCKFRIWFHGK-UQAUATQKSA-N	311.743	4.825	50	20	DJGD	
Cc1ccc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)cc1F	797398511	HVMSDBHAUUOUPE-QPEQYQDCSA-N	300.402	4.952	50	20	DJGD	
O=C1/C(=C\c2ccc(OCCCCl)cc2)Cc2ccccc21	811685530	VISMWMHRMIMXAS-VBKFSLOCSA-N	312.796	4.517	50	20	DJGD	
Cc1ccc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)c(C)c1	812246726	SQRMWYZEOCXLPK-ZSOIEALJSA-N	302.299	4.781	50	20	DJGD	
CCOc1ccc(/C=C(/C#N)c2ccc3ccccc3n2)cc1	917146580	RTBWDRDYZIOUED-LGMDPLHJSA-N	300.361	4.698	50	20	DJGD	
Cc1cc(C)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c1	921262246	RHUSPXDWINZMPX-XNTDXEJSSA-N	310.784	4.503	50	20	DJGD	
CCCCCCOc1ccc(C(=O)NN=C2CCCCC2)cc1	8083162	JCPKALJVGCTFEF-UHFFFAOYSA-N	316.445	4.696	50	20	DJGD	
Cc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1C	206950773	XATUWLPQJOXXPV-YBEGLDIGSA-N	324.811	4.811	50	20	DJGD	
Cc1cc(/C=C(/C#N)C(=O)c2cccc(C(F)(F)F)c2)c(C)o1	780527942	PSUSSFVKOKNJLT-AUWJEWJLSA-N	319.282	4.705	50	20	DJGD	
C[C@H](N(C)C(=O)CCCC[C@H]1CCSS1)C(C)(C)C	914431487	BKSFYHPUIRBCOE-STQMWFEESA-N	303.537	4.594	50	20	DJGD	
CCC(=O)NN=Cc1c2ccccc2c(Cl)c2ccccc12	915916390	FLIATXCFOVXPMX-UHFFFAOYSA-N	310.784	4.507	50	20	DJGD	
O=C(C1CCC(Cl)CC1)N1CC2(CCC2)[C@H]1c1ccccc1	1347009689	PMLDTXKYYRZUPZ-OFLPRAFFSA-N	317.860	4.538	50	20	DJGD	
COc1cc(/C=C(\C#N)C(=O)c2cc3ccccc3o2)ccc1C	194521672	VMIVRZLMPOGGAA-CXUHLZMHSA-N	317.344	4.540	50	20	DJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1csc(-c2ccc(C)cc2)n1	726428070	DSNZADUBEBXBLV-NCPSJORJSA-N	310.422	4.641	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1cccc2c1OC(C)(C)C2	737443124	GYNGODKMOFLVIC-OQLLNIDSSA-N	323.417	4.560	50	20	DJGD	
Cc1ccc(NNC(=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)cc1	749201061	VXMXRVXSPREFSX-NSHDSACASA-N	323.223	4.549	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C(C)=C(C)C	757349789	BPAKZUFDWPQVIR-UHFFFAOYSA-N	302.443	4.679	50	20	DJGD	
N#C/C(=C/c1ccc(C#N)cc1)C(=O)c1cc2ccccc2s1	788326836	HKLWJFROJCEKQA-SXGWCWSVSA-N	314.369	4.563	50	20	DJGD	
N#C/C(=C/C=C/c1ccccc1)C(=O)c1ccc2ncccc2c1	794965007	NGCSMDRWDOTDOU-DURWOYGOSA-N	310.356	4.581	50	20	DJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C/c2cccc(C#N)c2)cc1	14177871	JITBRIGKWHKLOR-LDADJPATSA-N	314.388	4.646	50	20	DJGD	
N#C/C(=C/c1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1	211231344	MJIFYKQAIDBHEK-SDQBBNPISA-N	317.175	4.539	50	20	DJGD	
CC(C)CN(CC(C)C)C(=O)CCCC[C@@H]1CCSS1	729625391	GWECMLSYGBEXMG-OAHLLOKOSA-N	317.564	4.841	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C1=C(C)CCC1	746810263	CXWUFGPYWALITN-UHFFFAOYSA-N	314.454	4.823	50	20	DJGD	
Cc1cccc(C)c1/C=C(\C#N)C(=O)Nc1ccccc1Cl	755572743	PPFPWGMKLAQFDN-GXDHUFHOSA-N	310.784	4.503	50	20	DJGD	
C[C@H]1CCN(C(=O)CCCC[C@@H]2CCSS2)CC1(C)C	759307534	KLPGIMZTWXGDKR-UONOGXRCSA-N	315.548	4.595	50	20	DJGD	
CC[C@](C)(CO)NCc1cccc(S(F)(F)(F)(F)F)c1	921667772	MTTXYUHRUSNWGC-GFCCVEGCSA-N	319.339	4.595	50	20	DJGD	
CCCCOc1ccc(/C=C(/C#N)C(=O)c2ccccc2)cc1	83330687	SJXPMTBKRXLJMU-JXAWBTAJSA-N	305.377	4.655	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(Br)cc1F	726118344	MIRAQKJHMAMJHJ-GHXNOFRVSA-N	324.193	4.500	50	20	DJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)cc1	726428193	GXRJSRDJEJRKPO-HUCUOGIVSA-N	319.404	4.788	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(F)c(Br)c1	741470755	UVHOGIYZPAYIQR-CEXMDJMXSA-N	324.193	4.500	50	20	DJGD	
Cc1ccc(NC(=O)/C(C#N)=C/C=C\c2ccc(F)cc2)c(C)c1	747697368	YHPVKTPIJJZXKC-XCMKXHSXSA-N	320.367	4.544	50	20	DJGD	
CC[C@@H](C)CN(CC)C(=O)CCCC[C@@H]1CCSS1	748437095	XMKNDORNUJXFMH-ZIAGYGMSSA-N	303.537	4.595	50	20	DJGD	
Cc1cc(/C(C#N)=C\c2cscc2Cl)ccc1[N+](=O)[O-]	774558008	HUKVMGWIUVCZDK-WZUFQYTHSA-N	304.758	4.682	50	20	DJGD	
Cc1cc(Cl)cc(C)c1/C=C(\C#N)C(=O)c1ccsc1	776190323	RENRIKLOCZJKJU-NTUHNPAUSA-N	301.798	4.808	50	20	DJGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cccc(C2CCC2)c1	798982963	SADHJEAPOSSFPF-UHFFFAOYSA-N	318.779	4.504	50	20	DJGD	
CN(N=Cc1ccc(-c2ccccc2)s1)C(=O)OC(C)(C)C	1318011275	PZMIKAJGJJBPEI-UHFFFAOYSA-N	316.426	4.616	50	20	DJGD	
CN(C(=O)/C(C#N)=C\c1cccc2ccccc12)C1CCCCC1	732716770	YRRVHKVSFMVZKP-JXAWBTAJSA-N	318.420	4.538	50	20	DJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2c(C)cccc2C)c(C)c1	755573705	ZQJFVXDZSOUIRT-WQRHYEAKSA-N	318.420	4.774	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/C=C/c2ccc(F)cc2F)s1	758062829	ONTUSGVAZPFJMB-JDVNWEJLSA-N	315.344	4.681	50	20	DJGD	
N#C/C(=C\c1c(Cl)oc2ccccc12)C(=O)c1ccccc1	761180814	KMJHJNHAUBMAHY-JLHYYAGUSA-N	307.736	4.876	50	20	DJGD	
N#C/C(=C\c1cccc(Cl)c1)C(=O)c1ccc2ncccc2c1	794886104	ZOZCOPUVMUHONG-CXUHLZMHSA-N	318.763	4.678	50	20	DJGD	
FS(F)(F)(F)(F)c1cccc(CN[C@H]2CCSC2)c1	840894583	WZYGUKJGBRQOQR-JTQLQIEISA-N	319.364	4.939	50	20	DJGD	
Cc1cc(C)c(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)cc1C	915851527	OTGFKHGKMYBMQZ-LICLKQGHSA-N	314.388	4.883	50	20	DJGD	
N#C/C(=C/C=C\c1ccccc1)C(=O)c1c[nH]c2cc(F)ccc12	920244345	PTFFSTUNNYUQKK-DWFRYJRFSA-N	316.335	4.653	50	20	DJGD	
CCCOc1ccc(/C=C(/C#N)c2ccccn2)c(OCCC)c1	35077741	VTENSLNMIQLNFG-LGMDPLHJSA-N	322.408	4.723	50	20	DJGD	
CC[C@H](OC)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	273953897	NHDZKYWXGRZAEX-JTQLQIEISA-N	319.295	4.708	50	20	DJGD	
Cc1nc(/C(C#N)=C/c2ccc(N3CCCCC3)cc2)sc1C	741467892	RDKKTQUPZIMGHT-SFQUDFHCSA-N	323.465	4.814	50	20	DJGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc(F)c(Cl)c1Cl	761383411	ACXIDPSASJWSOG-UXBLZVDNSA-N	300.160	4.655	50	20	DJGD	
CN(Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1)C1CC1	792862047	IQFFEISETMCFAC-UHFFFAOYSA-N	305.538	4.803	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(CSC(F)F)o1	794875396	UTZJXBGMLKUETB-JXMROGBWSA-N	313.369	4.648	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1coc(-c2ccc(C)cc2)n1	794955456	ZLYCGVPLFCCLLY-GDNBJRDFSA-N	308.381	4.562	50	20	DJGD	
O=C(NN=C1CCC2(CCCC2)CC1)c1ccccc1Cl	1327587426	KLVVLXBDMQWBQC-UHFFFAOYSA-N	304.821	4.560	50	20	DJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccoc2C)c2ccccc12	915986194	ZHAVENHINMBFPH-PTNGSMBKSA-N	317.344	4.540	50	20	DJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)[C@H]1C[C@@H]1F	1527986291	OJEPMNNTGIREEM-IUCAKERBSA-N	305.243	4.641	50	20	DJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(C)s2)c1C	7210207	LHAHKBWGGUXIOF-XNTDXEJSSA-N	312.438	4.675	50	20	DJGD	
CC[C@@H](CC(=O)NNc1cccc(Cl)c1)c1ccc(C)cc1	737787219	IUFGVLVVOZMLLZ-AWEZNQCLSA-N	316.832	4.675	50	20	DJGD	
COc1cc(/C=C(\C#N)c2nc(C3CC3)cs2)ccc1Cl	863193495	QIQSFDUDAMSAMG-WUXMJOGZSA-N	316.813	4.747	50	20	DJGD	
Cc1cc(C)cc(/C=C(\C#N)c2nc(-c3ccncc3)cs2)c1	921269478	MVRCFNSEUSXMRU-LICLKQGHSA-N	317.417	4.886	50	20	DJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccc(C(F)(F)F)cc1	212128790	HADLXYHECRYNPD-UVTDQMKNSA-N	315.294	4.804	50	20	DJGD	
CCCOc1cccc(/C=C(/C#N)C(=O)c2cccc(C)c2C)c1	727653954	CTFHZOZVEANNSH-PDGQHHTCSA-N	319.404	4.882	50	20	DJGD	
N#C/C(=C\c1cc(F)cc(F)c1)C(=O)c1ccc(Cl)cc1F	179610326	VZOCPKRZQNPYGE-XCVCLJGOSA-N	321.685	4.547	50	20	DJGD	
CC(C)(C#N)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	186056363	HAHYSHIMIIJLIM-UHFFFAOYSA-N	314.279	4.832	50	20	DJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3ccc(C)s3)c[nH]c2c1	194580936	DGCINZCZQYMHPD-MDWZMJQESA-N	306.390	4.636	50	20	DJGD	
Cc1ccc(/C=C(/C#N)C(=O)O[C@H](C)c2cccc(C)c2)cc1	737339625	SOWYDBBQPQXSLY-BKAYVGFPSA-N	305.377	4.515	50	20	DJGD	
N#C/C(=C/C=C\c1ccc(F)cc1F)C(=O)C1CCCCC1	758062068	GOYQAXVADDGPKE-DWFRYJRFSA-N	301.336	4.577	50	20	DJGD	
Cc1ccc(-c2nc(/C=C(\C#N)C(=O)C3CCCCC3)co2)cc1	767739246	YFSBXKDAAHPQKM-GZTJUZNOSA-N	320.392	4.706	50	20	DJGD	
CCc1cccc2c(/C=C(\C#N)C(=O)c3cccc(F)c3)c[nH]c12	772172484	QPAZRPOYXYHHCD-OQLLNIDSSA-N	318.351	4.659	50	20	DJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)c(C)c1	783686826	AISWKEAPGVRORL-JYRVWZFOSA-N	301.798	4.808	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(C(F)(F)F)s1	761481103	VPFWJHNEUODRDM-YIXGCBLDSA-N	301.333	4.679	50	20	DJGD	
CCOc1c(Cl)cccc1/C=C(\C#N)c1nc2ccccc2[nH]1	779220898	KMQWLIKWWUJINU-JLHYYAGUSA-N	323.783	4.679	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(C)c3ncccc3c2)s1	783708135	UVGPFCOOQVPBOB-MHWRWJLKSA-N	318.401	4.703	50	20	DJGD	
CSc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)cc1	208047690	RBTDSTPMBOYAJR-UVTDQMKNSA-N	318.401	4.680	50	20	DJGD	
N#C/C(=C/c1ccc(Cl)cc1Cl)C(=O)c1ccccc1F	212673572	XFXNEXJYQSDHKD-XFFZJAGNSA-N	320.150	4.922	50	20	DJGD	
Cc1cc(/C=C(/C#N)c2nc3cc(F)ccc3s2)ccc1F	730150088	HBTPGWVGUNNUCB-GHXNOFRVSA-N	312.344	4.947	50	20	DJGD	
C[C@@H]1CC[C@H](NC(=O)CCCC[C@H]2CCSS2)[C@H](C)C1	733182198	QGQIYPIIIFJZED-KBXIAJHMSA-N	315.548	4.641	50	20	DJGD	
O=C(CCCC[C@H]1CCSS1)OCc1ccsc1	744237484	NCVCDBPSRSWWLH-LBPRGKRZSA-N	302.486	4.505	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cccc(Cl)c1C	812769724	AKVHKLYSRPQTGG-UHFFFAOYSA-N	316.832	4.837	50	20	DJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2ccc(F)cc2F)cc1	915852807	ZMAWPNHIPBHOHF-MHWRWJLKSA-N	311.331	4.707	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cccc(-c2cccnc2)c1	129038429	FNOHVTZENXSJHA-UZUMKDMXSA-N	304.393	4.661	50	20	DJGD	
CCSc1cccc(/C=C(/C#N)c2nc3ccccc3[nH]2)c1	588488659	DPOSKUDAIZRBME-UVTDQMKNSA-N	305.406	4.739	50	20	DJGD	
CC(C)[C@H](C=NNC(=O)c1cc2ccccc2o1)c1ccccc1	794518539	CHGFPZQQFBVFNH-KRWDZBQOSA-N	320.392	4.588	50	20	DJGD	
N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)c1ccoc1	798230151	MHWOWGPGWZLFFF-UKTHLTGXSA-N	323.735	4.983	50	20	DJGD	
CCOc1ccccc1/C=C(/C#N)c1cc(C(F)(F)F)ccn1	812246674	RETNKPDCRQNWEH-LCYFTJDESA-N	318.298	4.563	50	20	DJGD	
CC(C)c1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1	206249471	LTIFBWOASQMWAP-FPXKJXHESA-N	318.420	4.594	50	20	DJGD	
Cc1nc(/C(C#N)=C/c2ccc(C(F)(F)F)cc2)sc1C	741474550	QJLANMUWUURECR-KPKJPENVSA-N	308.328	4.843	50	20	DJGD	
Cc1cc(F)ccc1/C=C(\C#N)C(=O)c1ccc(Cl)cc1F	773148274	DGRIXABJFVNZKP-KPKJPENVSA-N	317.722	4.717	50	20	DJGD	
CC(C)Sc1cccc(Cl)c1/C=C(\C#N)C(=O)C(C)C	782331803	YCHUYPCXSHYDCO-XYOKQWHBSA-N	307.846	4.973	50	20	DJGD	
C=C(CBr)CN[C@@H](C)c1cc2ccccc2s1	791489465	BUAAZEIXXBBMRP-NSHDSACASA-N	310.260	4.503	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccc(C(F)F)cc1	794874684	IENNAJZDKDRWRG-JYRVWZFOSA-N	303.333	4.784	50	20	DJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2ccc(F)cc2F)s1	797397667	AIUSCVOAXUPYKZ-IZZDOVSWSA-N	304.365	4.783	50	20	DJGD	
CC(=NNC(=O)c1ccc(Cl)cc1Cl)C1CCCCC1	916360556	YCGAJFYMWOXEPV-UHFFFAOYSA-N	313.228	4.679	50	20	DJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)c1C	5619834	UHDSNOHDBBNEJE-XDHOZWIPSA-N	318.420	4.973	50	20	DJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)c(C)c1	213150730	PXYUPTFCMFAYMI-BOPFTXTBSA-N	314.388	4.883	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cccc(OC(C)C)c2)c1C	727653860	AYHCIBOUMBOSAB-WOJGMQOQSA-N	319.404	4.881	50	20	DJGD	
CSc1ccc(C)c(NC(=O)NNc2cccc(Cl)c2)c1	775712414	CAURVFHEDMYQRE-UHFFFAOYSA-N	321.833	4.519	50	20	DJGD	
CC(C)(F)C(=O)/C(C#N)=C\c1cc(C(F)(F)F)ccc1Cl	834447363	LACVADICXZOYMW-UITAMQMPSA-N	319.685	4.583	50	20	DJGD	
Cc1cccc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)c1C	731155137	AKLFQYMFUMPXRO-MHWRWJLKSA-N	300.361	4.575	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(N2CCCCC2)cc1	741473410	IELZETZFPKEMJX-IYWFSZBXSA-N	310.441	4.589	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cscc1C(F)(F)F	811628344	VAUDZYDTZDRFKM-WEVVVXLNSA-N	301.333	4.679	50	20	DJGD	
Cc1cc(/C=C(/C#N)C(=O)CC(C)(C)C)c(C)n1Cc1ccco1	918733745	SQSHPFSJHGJADX-YVLHZVERSA-N	324.424	4.659	50	20	DJGD	
CCN(CC)c1ccc(/C=C(/C#N)c2nc(C)cs2)cc1F	131814492	DNLDBBBLTURTMU-ZSOIEALJSA-N	315.417	4.501	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C\c1cnc(C2CCCC2)s1	255602095	MMMRTEBKDKHSTP-ZROIWOOFSA-N	302.443	4.713	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cc(F)c(F)cc2F)c1C	767712784	HUVGFBSPFHVECR-MLPAPPSSSA-N	315.294	4.511	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(F)cc1C(F)(F)F	771859442	MUFLIBVPLIWOSH-BZPKPHBRSA-N	313.294	4.757	50	20	DJGD	
Cc1cc(/C(C#N)=C/c2ccsc2Cl)ccc1[N+](=O)[O-]	790225842	WDPOGGYTXMRBGR-KPKJPENVSA-N	304.758	4.682	50	20	DJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccccc2)c2ccccc12	915981675	WCNQOKUIZJUXQX-LGMDPLHJSA-N	313.356	4.638	50	20	DJGD	
Cc1cc(/C=C(/C#N)C(=O)c2c[nH]c3cc(F)ccc23)ccc1F	729150980	SIZGZKHDBPUMRA-QPEQYQDCSA-N	322.314	4.544	50	20	DJGD	
O=C(NNc1ccccc1)Nc1cccc(-c2cccs2)c1	762238016	IKMZBMQPDMCAQO-UHFFFAOYSA-N	309.394	4.564	50	20	DJGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2ccsc2)cc1	7167591	VWRHRNFPOVHTAG-BVTUPMQUSA-N	310.422	4.807	50	20	DJGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccc(F)c(C(F)(F)F)c1	158784742	SJAQAAHHHWBMLD-IZZDOVSWSA-N	323.245	4.536	50	20	DJGD	
CC(C)CC[C@H]1CCCC1=NNC(=O)c1cccc2ncccc12	730146678	CKAUWXKXJAQAJZ-OAHLLOKOSA-N	323.440	4.557	50	20	DJGD	
CSc1ccc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)cc1	812246196	FZCLXCCEGZASLL-XYOKQWHBSA-N	320.339	4.886	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1csc(Cl)c1	812764773	GTEBOPIRJCHCOE-UHFFFAOYSA-N	308.834	4.590	50	20	DJGD	
Cc1[nH]c2c(C(=O)NNc3ccc(C(C)C)cc3)cccc2c1C	837055412	GEFCKHTXGOXTKC-UHFFFAOYSA-N	321.424	4.665	50	20	DJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1cccc(Cl)c1	6430506	PKQQKMFDORKIGS-NTEUORMPSA-N	320.779	4.920	50	20	DJGD	
CN(C)c1ccc(/C=C(\C#N)c2ccc3ccccc3n2)cc1F	727655342	VUQPBCIKWPLFCC-LFIBNONCSA-N	317.367	4.504	50	20	DJGD	
N#C/C(=C/c1cnc(-c2cccs2)s1)C(=O)c1ccccc1	751511842	COJNYVCAVAYKKN-LCYFTJDESA-N	322.414	4.661	50	20	DJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C/c2ccc(O)c(F)c2)cc1	755408526	ZYUVZUAQSZBKGR-XNTDXEJSSA-N	323.367	4.619	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cccc(-c3ccccn3)c2)cc1	764884122	BSBLGFUXXWILFO-XSFVSMFZSA-N	324.383	4.847	50	20	DJGD	
N#C/C(=C/c1cc2ccccc2s1)C(=O)c1cccc(F)c1	772177928	CIZOYHPIDBNRDS-UVTDQMKNSA-N	307.349	4.830	50	20	DJGD	
CCOc1ccc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)cc1	11297300	FDJKKZMZDVHACB-XNTDXEJSSA-N	311.768	4.529	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C\c3ccc(OC(C)C)cc3)[nH]c12	735618757	FMDMFHROEUSSOY-WJDWOHSUSA-N	317.392	4.723	50	20	DJGD	
CC(C)C1CCN(C(=O)CCCC[C@@H]2CCSS2)CC1	742116221	MNGDQCDIJILSFX-OAHLLOKOSA-N	315.548	4.595	50	20	DJGD	
N#C/C(=C/C=C/c1ccc(F)c(F)c1)c1cnc2ccccc2n1	794715173	UYOJFFDUDTYCEE-WLXMHCNISA-N	319.314	4.528	50	20	DJGD	
N#C/C(=C/c1coc2ccccc12)c1nc(-c2ccccc2)no1	746523822	YOJUDOLHDXPMIS-UVTDQMKNSA-N	313.316	4.547	50	20	DJGD	
N#C/C(=C/c1cc(Cl)ccc1Cl)C(=O)c1ccccc1F	753683103	MODOFSHVAGKDJS-XFFZJAGNSA-N	320.150	4.922	50	20	DJGD	
N#C/C(=C\c1cccc(F)c1)C(=O)c1cccc(C(F)(F)F)c1	780374201	KVFOSCFFBLRWNV-NTUHNPAUSA-N	319.257	4.634	50	20	DJGD	
COc1ccc2oc(/C=C(\C#N)C(=O)c3ccccc3C)cc2c1	1319688686	KSZWGGBITACQIE-RVDMUPIBSA-N	317.344	4.540	50	20	DJGD	
Cc1[nH]c2ccccc2c1C(=O)NNc1ccc(C(C)(C)C)cc1	181116756	LNVWERSRYNJGEH-UHFFFAOYSA-N	321.424	4.531	50	20	DJGD	
C[C@H](CBr)CN[C@@H](C)c1cc2ccccc2s1	770668373	MDWLZXVRSZWAKC-MNOVXSKESA-N	312.276	4.583	50	20	DJGD	
N#C/C(=C\c1ccc(C(F)(F)F)cc1)C(=O)c1cccc(F)c1	772171325	FUHJCYSOJXZFOO-MDWZMJQESA-N	319.257	4.634	50	20	DJGD	
Cc1ccc(-c2ncc(/C=C(/C#N)C(=O)C(C)(C)C)s2)cc1	114990968	HRYKBHZDMPDTPW-ZROIWOOFSA-N	310.422	4.641	50	20	DJGD	
CC[C@H](C)c1ccc([C@H](NC=C(C#N)C#N)c2cccs2)cc1	747841104	PCHVOZFGHQRARZ-LIRRHRJNSA-N	321.449	4.872	50	20	DJGD	
Cc1oc2ccccc2c1/C=C(/C#N)c1nc2cccc(C)c2[nH]1	759035229	NBNNJISVEJGNDU-UVTDQMKNSA-N	313.360	4.990	50	20	DJGD	
CCn1c(C)cc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)c1C	797399024	NRBSZOYUFLVGCY-OQLLNIDSSA-N	313.470	4.943	50	20	DJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cc2ccc(C)cc2nc1Cl	1318174023	QOUDRFQVLRLPRH-DGGAMASNSA-N	312.800	4.719	50	20	DJGD	
Cc1cc(/C=C(\C#N)C(=O)C(C)(C)C)ccc1Oc1cccnc1	171981099	XXKUXXAIEVHEDE-LFIBNONCSA-N	320.392	4.705	50	20	DJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C/c2cccnc2Cl)cc1	728700769	WKAFCYSAYJOLHG-RVDMUPIBSA-N	324.811	4.822	50	20	DJGD	
C[C@H](CBr)CN[C@H](C)c1cc2ccccc2s1	770668372	MDWLZXVRSZWAKC-GHMZBOCLSA-N	312.276	4.583	50	20	DJGD	
C[C@@H]1C[C@H]1C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	786610960	NEHLQMOFCCJPNO-RWYTXXIDSA-N	323.767	4.500	50	20	DJGD	
N#C/C(=C\c1cccnc1Cl)C(=O)c1cc2ccccc2s1	788361177	VZZKIXLNHFTGFN-MDWZMJQESA-N	324.792	4.740	50	20	DJGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1csc(C(F)(F)F)c1	863182748	XLOAEHBSNBGLKH-WMZJFQQLSA-N	301.333	4.679	50	20	DJGD	
COc1ccc2oc(/C=C(\C#N)C(=O)c3sccc3C)cc2c1	179132251	QTWCDHSKYQOLSZ-UKTHLTGXSA-N	323.373	4.601	50	20	DJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3sccc3C)c[nH]c2c1	194580895	DJXLGDLEFZSFDI-MDWZMJQESA-N	306.390	4.636	50	20	DJGD	
N#C/C(=C\c1c(Cl)oc2ccccc12)C(=O)c1ccsc1	761177003	QWDSOQCICZPHPB-YRNVUSSQSA-N	313.765	4.938	50	20	DJGD	
Cc1cccc2c1N(C(=O)CCCC[C@@H]1CCSS1)CC2	762991718	XAQDMOQQWWNDLX-OAHLLOKOSA-N	321.511	4.598	50	20	DJGD	
CCCCOc1ccccc1/C=C(/C#N)C(=O)c1ccccc1F	767351633	GMQWIGLEPAQLTR-SSZFMOIBSA-N	323.367	4.794	50	20	DJGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2ccsc2)cc1	7167594	VWRHRNFPOVHTAG-RKPNYOAGSA-N	310.422	4.807	50	20	DJGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1cccc(-c2cccnc2)c1	127731658	QZZSGJMELAWGMT-WOJGMQOQSA-N	304.393	4.661	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cc2cc(F)ccc2o1	132602883	SGZARNQOQPBZTA-WQLSENKSSA-N	311.337	4.732	50	20	DJGD	
N#C/C(=C/c1ccccc1)C(=O)Nc1c(Cl)cccc1Cl	207865645	YLJIRHXIQUWESZ-XFXZXTDPSA-N	317.175	4.539	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc3cc(F)ccc3o2)s1	741841482	LOJWBBYTZDJKJW-XYOKQWHBSA-N	311.337	4.732	50	20	DJGD	
C/C(=C\c1ccccc1Cl)C(=O)NNc1cccc(Cl)c1	755449965	LDPWFMVHOARHHR-PKNBQFBNSA-N	321.207	4.540	50	20	DJGD	
Cc1cc(/C(C#N)=C/c2ccc(OC(C)C)cc2)ccc1[N+](=O)[O-]	774557922	GNZKHXWWIARWKG-GZTJUZNOSA-N	322.364	4.755	50	20	DJGD	
CCCCC[C@@H](C)NC(=O)CCCC[C@H]1CCSS1	849367564	AVHFHWGJIIAALO-KGLIPLIRSA-N	303.537	4.786	50	20	DJGD	
Cc1csc(/C(C#N)=C\c2csc(-c3ccsc3)n2)n1	49065687	IADAIVYUUFQPPV-WCIBSUBMSA-N	315.448	4.701	50	20	DJGD	
N#C/C=C(\c1ccccc1)N1CCC(OCC2CCCCC2)CC1	750800659	VXHNTHIPYJZXQF-SRZZPIQSSA-N	324.468	4.612	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2nc3ccc(F)cc3s2)cc1	761386956	RWKOUUDCAOVTHT-MDWZMJQESA-N	322.364	4.534	50	20	DJGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2cscc2Cl)cc1	771841611	PMKJDTGJPODCGZ-GHXNOFRVSA-N	316.813	4.510	50	20	DJGD	
Cc1cc(Cl)c(C(=O)NNc2ccc(C(C)C)cc2)cc1C	837053931	YJTQDJTWLBVTIQ-UHFFFAOYSA-N	316.832	4.837	50	20	DJGD	
FS(F)(F)(F)(F)c1cccc(CNC2CSC2)c1	840973350	KIINUFDNGLAODX-UHFFFAOYSA-N	305.337	4.549	50	20	DJGD	
CC(C)CC(=O)/C(C#N)=C\c1cccc(OCc2ccccc2)c1	726120046	IIONIFQSAALDNH-UNOMPAQXSA-N	319.404	4.788	50	20	DJGD	
CCc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)s1	731155561	KYRLLKOYPUGQID-FMIVXFBMSA-N	306.390	4.582	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/C=C\c2ccc(F)cc2F)cc1	764922375	YMMSLCWSZMMTOT-YBVLIEQXSA-N	309.315	4.619	50	20	DJGD	
N#C/C(=C/c1cnc(-c2ccccc2)s1)C(=O)C1CCCCC1	767736031	IRLRHDNGOSGWBB-WJDWOHSUSA-N	322.433	4.866	50	20	DJGD	
CC(C)(C)c1ccc(NNC(=O)[C@H](c2ccccc2)C2CC2)cc1	780803448	GNECKXHYXXRPNB-LJQANCHMSA-N	322.452	4.621	50	20	DJGD	
Cc1cccc(CN(C)C(=O)CCCC[C@@H]2CCSS2)c1	914452776	VZBHDWOYOCJECI-MRXNPFEDSA-N	323.527	4.668	50	20	DJGD	
CC(=C/c1ccccc1)/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1	33315229	MFRBNPQLHHHXNA-RVFWBLQRSA-N	322.795	4.832	50	20	DJGD	
CCCCOc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1	33343937	CFCQESVPWVJVLV-LGMDPLHJSA-N	322.364	4.838	50	20	DJGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc2ccccc2c1	211441070	XJZAHKYJOLHNPD-UYRXBGFRSA-N	312.372	4.694	50	20	DJGD	
COc1cccc2cc(/C=C(\C#N)C(=O)c3ccc(C)s3)oc12	729820749	XTPPTEPOEUUIAK-UKTHLTGXSA-N	323.373	4.601	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C/C=C\c3ccc(F)cc3)[nH]c12	747694450	XSIAHLUGMKJPJT-QFJUEOODSA-N	303.340	4.631	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C/C=C\c1ccc(F)cc1F	758018864	ZXYBUZIUIZPHAC-NWNZELPYSA-N	315.344	4.681	50	20	DJGD	
N#C/C(=C/c1ccc(Br)s1)C(=O)C1CCCCC1	767713602	LJNSJZXMPASBGO-FLIBITNWSA-N	324.243	4.567	50	20	DJGD	
N#C/C(=C/c1ccccc1F)C(=O)c1cc(Cl)cc(Cl)c1	921138699	ZBXOPSMMAIYXAZ-XGICHPGQSA-N	320.150	4.922	50	20	DJGD	
C(CC[C@H]1CCSS1)Cc1nnc(CC2CCCC2)o1	1258634942	KPPMCWNSRZWQSA-ZDUSSCGKSA-N	312.504	4.669	50	20	DJGD	
N#C/C(=C\c1ccc(SC(F)(F)F)cc1)C(=O)c1ccco1	17700550	NQWJYHKHQKCQJZ-DHZHZOJOSA-N	323.295	4.681	50	20	DJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2cnc(C3CCC3)s2)c1	155221166	BFSRJNWXZDAZRI-CXUHLZMHSA-N	322.433	4.817	50	20	DJGD	
CO[C@H](C)CC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	186055813	QAYWNYDUXNKLPZ-MRVPVSSYSA-N	319.295	4.708	50	20	DJGD	
Cc1csc(/C(C#N)=C/c2ccc(Br)c(C)c2)n1	255838066	DKIRVHRBGCJREV-WUXMJOGZSA-N	319.227	4.587	50	20	DJGD	
COc1cccc(/C=C(\C#N)c2nc3cc(F)ccc3s2)c1	730148501	HIZDODDPOLKZSR-KPKJPENVSA-N	310.353	4.508	50	20	DJGD	
COc1ccc(C)cc1/C=C(/C#N)c1nc2cc(F)ccc2s1	730149562	BQQFHTPNGYONLB-JYRVWZFOSA-N	324.380	4.817	50	20	DJGD	
COc1ccc(/C=C(\C#N)C(=O)c2cc3ccccc3s2)cc1	788326066	BRHDXPGSOXWVLQ-XNTDXEJSSA-N	319.385	4.700	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cccc(F)c1Cl	812768782	GKSRYRBIUBEHGO-UHFFFAOYSA-N	320.795	4.668	50	20	DJGD	
Cc1csc(-c2nnc([C@@H](Br)C(C)(C)C)o2)c1	1261844420	NVBYGRQZGQEEIP-SECBINFHSA-N	315.236	4.589	50	20	DJGD	
N#C/C(=C\c1csc(-c2ccc(Cl)cc2)n1)c1ccccn1	7155373	ZDMGAQDYTOWYSE-UKTHLTGXSA-N	323.808	4.923	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccc(F)cc1Cl	767715003	SBXLANLXGOQKAB-WDZFZDKYSA-N	305.761	4.639	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1csc(Cl)c1Cl	794874691	NIMNJPAWOIHTPX-YVMONPNESA-N	302.226	4.967	50	20	DJGD	
C/C(=C\c1ccccc1Cl)C(=O)NNc1ccc(Cl)cc1	810683894	KSLFAANZVUAWED-ZHACJKMWSA-N	321.207	4.540	50	20	DJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C/c2cccc(F)c2)cc1	915862768	WUDXXKVDXYRJLO-LFIBNONCSA-N	307.368	4.913	50	20	DJGD	
N#C/C(=C\c1cc(Cl)cc(Cl)c1)C(=O)Nc1ccccc1	917516224	PNKOELDTLNTKMF-WUXMJOGZSA-N	317.175	4.539	50	20	DJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2ccc([C@@H]3C[C@@H]3C)o2)c1	918735251	GJVMZUPOZYKUTJ-ONRVGMAUSA-N	305.377	4.810	50	20	DJGD	
N#C/C(=C/c1ccccc1Cl)C(=O)Nc1ccccc1Cl	3570428	OSIHOQKPGKXCCT-XFXZXTDPSA-N	317.175	4.539	50	20	DJGD	
Cc1csc(/C(C#N)=C/c2cccc(-c3cccnc3)c2)n1	127725036	AOMMKCIMCGPMIH-RQZCQDPDSA-N	303.390	4.578	50	20	DJGD	
Cc1csc(/C(C#N)=C\c2ccc(C)c(Br)c2)n1	179773534	VJSLARXTWXLKIA-XGICHPGQSA-N	319.227	4.587	50	20	DJGD	
Cc1cc(C)c(C=NNC(=O)c2cccc3ccccc23)cc1C	741462943	SNZUWGYBWXJULS-UHFFFAOYSA-N	316.404	4.529	50	20	DJGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2C2CC2)c(C)c1	750816994	AEQVKPDMEOQSIZ-PDGQHHTCSA-N	316.404	4.727	50	20	DJGD	
Cc1cc(F)ccc1/C=C(\C#N)C(=O)c1c[nH]c2cc(F)ccc12	750900538	MVKTXJIGAVJYNX-NTUHNPAUSA-N	322.314	4.544	50	20	DJGD	
Cc1ccc2[nH]c(C(=O)NNc3c(C)cccc3C(C)C)cc2c1	812767260	WBXSWOBBRJYWHG-UHFFFAOYSA-N	321.424	4.665	50	20	DJGD	
CC(C)(F)C(=O)/C(C#N)=C/c1cc(C(F)(F)F)ccc1Cl	834447364	LACVADICXZOYMW-WEVVVXLNSA-N	319.685	4.583	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccc(OC(C)C)cc1	48331573	HXFAOGHANICOSN-GDNBJRDFSA-N	311.406	4.634	50	20	DJGD	
FS(F)(F)(F)(F)c1cccc(NC2CCOCC2)c1	184035428	JIDHWLPNPAESRC-UHFFFAOYSA-N	303.296	4.935	50	20	DJGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc(N(C)c2ccccc2)cc1	726184900	ZGZNHCXWEFOTKM-JXAWBTAJSA-N	318.420	4.977	50	20	DJGD	
CCC[C@@H]1CCCN(C(=O)CCCC[C@@H]2CCSS2)C1	758176960	UGERSQZKMYENGF-HUUCEWRRSA-N	315.548	4.739	50	20	DJGD	
CC(CCc1ccsc1)=NNC(=O)c1cccc2ccccc12	764910987	XULJKAGFGJSGGE-UHFFFAOYSA-N	322.433	4.640	50	20	DJGD	
N#C/C(=C/c1ccccc1C1CC1)C(=O)c1cc(F)cc(F)c1	772175132	FUIHQBJAPHASOA-CHHVJCJISA-N	309.315	4.632	50	20	DJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2scnc2C2CC2)s1	797406921	YLEYPTORSURUMW-IZZDOVSWSA-N	315.467	4.839	50	20	DJGD	
N#C/C(=C\c1csc2ccccc12)C(=O)c1ccc(F)cc1	810208802	GDWOHSPWDCMDPB-UKTHLTGXSA-N	307.349	4.830	50	20	DJGD	
CC(C)(NC(=O)CCCC[C@@H]1CCSS1)c1ccccc1	921167913	JWIJODKLMXECCX-OAHLLOKOSA-N	323.527	4.752	50	20	DJGD	
CC(CCC1CCCCC1)=NNC(=O)c1ccccc1Cl	1318359681	PJOPIOOYIMOYEL-UHFFFAOYSA-N	306.837	4.806	50	20	DJGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccccc1Cl	33981333	RCIDQJQNRYLVDB-NSHDSACASA-N	315.891	4.993	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1csc(-c2cccs2)n1	125525768	XCPBIFJHSYJYNR-HQQGHWSLSA-N	316.451	4.784	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(-c2ccc(F)cc2)o1	741470058	PQLZCXYOQFMLBI-WZMONFQBSA-N	311.356	4.998	50	20	DJGD	
N#C/C(=C\c1csc2ccccc12)C(=O)c1cccc(F)c1	772172490	QVTQSAPSWWCSJV-MDWZMJQESA-N	307.349	4.830	50	20	DJGD	
CCSc1cccc(/C=C(/C#N)C(=O)c2cccc(F)c2)c1	772177995	DQOWJWMWSYQPBM-DHDCSXOGSA-N	311.381	4.728	50	20	DJGD	
CC(=C\c1ccccc1)/C=C(/C#N)c1ccc([N+](=O)[O-])c(C)c1	774559812	SLWHFBQRYNSTAI-RZTVDGLLSA-N	304.349	4.914	50	20	DJGD	
Cc1ccc(F)cc1/C=C(/C#N)C(=O)c1ccc(Cl)cc1F	777870575	FPMGOJWUFMGSDY-SDQBBNPISA-N	317.722	4.717	50	20	DJGD	
N#C/C(=C/c1cccc(Cl)c1)C(=O)c1ccc(Cl)s1	783687766	PYFXMYCKEINUND-POHAHGRESA-N	308.189	4.845	50	20	DJGD	
N#C/C(=C/c1ccc(C(F)F)cc1)c1nc(-c2ccccc2)no1	794874215	XKNBVTBLNZUJAU-GDNBJRDFSA-N	323.302	4.738	50	20	DJGD	
Cc1cccc(C(=O)NNc2c(C)cccc2C(C)C)c1Cl	812766260	CQTZQQIMVCBEEH-UHFFFAOYSA-N	316.832	4.837	50	20	DJGD	
N#C/C(=C/c1cccc(Cl)c1)C(=O)Nc1ccccc1Cl	59117282	UNQSYAFOWXJABM-WQLSENKSSA-N	317.175	4.539	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1csc(-c2cccs2)n1	172692784	XCPBIFJHSYJYNR-SERMCNLOSA-N	316.451	4.784	50	20	DJGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)ccc1C	588597449	PVBZCOYHYVEZPQ-GHXNOFRVSA-N	317.797	4.508	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/C=C1/N(C)c2ccccc2C1(C)C	726184813	XTMKZHOYLPJXDG-BLAZZTHISA-N	322.452	4.753	50	20	DJGD	
N#C/C(=C\c1ccccc1C(F)(F)F)C(=O)c1cccc(F)c1	772172525	SAILCMIIHBFZRC-MDWZMJQESA-N	319.257	4.634	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1c(OC)ccc2ccccc12	794875751	YTBCUJMPNZEQDT-QINSGFPZSA-N	307.393	4.761	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cccc(CCl)c2)s1	799892041	DJANCHUEMZIPHJ-RIYZIHGNSA-N	301.798	4.585	50	20	DJGD	
C[C@H]1C[C@@H](NCc2cccc(S(F)(F)(F)(F)F)c2)CO1	842712637	SIESVLWMECLZSR-GXSJLCMTSA-N	317.323	4.611	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cc(F)ccc1Br	761206841	XVYVVCBIGAJCRW-VPMLRQHESA-N	324.193	4.500	50	20	DJGD	
CC[C@H](OC(=O)CCCC[C@@H]1CCSS1)C(F)(F)F	835649249	LERVPHFLXPBQFS-ZJUUUORDSA-N	316.410	4.585	50	20	DJGD	
CCCCCCCC(C)=NNC(=O)c1ccc2ccccc2n1	917562980	CSZIWDURWPMXEM-UHFFFAOYSA-N	311.429	4.701	50	20	DJGD	
FS(F)(F)(F)(F)c1cccc(CNC[C@@H]2CCCO2)c1	921476707	LCSKKVMZJIAJAR-NSHDSACASA-N	317.323	4.613	50	20	DJGD	
N#C/C(=C/c1ccc2ccccc2c1)C(=O)Nc1ccccc1F	211423166	BHMZAJRLBLVSDZ-ATVHPVEESA-N	316.335	4.525	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C\c1coc(-c2ccc(C)cc2)n1	254974376	GMHGGOWGYJFZDO-YBEGLDIGSA-N	308.381	4.562	50	20	DJGD	
CCCC[C@H]1CCCC1=NNC(=O)c1cc2ccccc2cc1O	727250119	JEQKUBUHAONQRC-AWEZNQCLSA-N	324.424	4.622	50	20	DJGD	
N#C/C(=C/c1ccc(-c2ccccc2Cl)o1)C(=O)c1ccco1	732577300	ARHCDGCGYROELU-BENRWUELSA-N	323.735	4.983	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C\c3cc(C)n(C4CC4)c3C)[nH]c12	735669425	MZMAZDXXJHHGTB-YBEGLDIGSA-N	316.408	4.689	50	20	DJGD	
N#C/C(=C\c1cccc(-c2ccccn2)c1)C(=O)C1CCCCC1	747699708	VTSQFTAQROEVRD-XMHGGMMESA-N	316.404	4.805	50	20	DJGD	
N#C/C(=C\c1ccc(Cl)nc1)c1nc2cc(F)ccc2s1	749006466	WKIJJDXGWQLFCX-BJMVGYQFSA-N	315.760	4.548	50	20	DJGD	
N#CC(C#N)=Cc1ccc(-c2ccc(Br)cc2)s1	26153192	WWDPUKFMLTYSAI-UHFFFAOYSA-N	315.195	4.608	50	20	DJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1csc(-c2ccc(C)cc2)n1	726428067	DSNZADUBEBXBLV-GRRFOWRYSA-N	310.422	4.641	50	20	DJGD	
CC[C@@H](C)c1ccc([C@H](NC=C(C#N)C#N)c2cccs2)cc1	747841103	PCHVOZFGHQRARZ-KUHUBIRLSA-N	321.449	4.872	50	20	DJGD	
Cc1cc(C)c(C(=O)NNc2ccc(Cl)cc2Cl)c(C)c1	761996993	XVMLONRXGWPINP-UHFFFAOYSA-N	323.223	4.676	50	20	DJGD	
COc1ccc(/C=C(/C#N)C(=O)C2CCCC2)c2ccccc12	781554382	NSGSMVOLXUMPCG-VBKFSLOCSA-N	305.377	4.515	50	20	DJGD	
CCCCC(C)=NNC(=O)c1ccc(-c2ccc(F)cc2)s1	917030056	UGDOHXYMEPIDPG-UHFFFAOYSA-N	318.417	4.850	50	20	DJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1c(F)cccc1F	6210168	NIXHPQDFFDPYST-FMIVXFBMSA-N	322.314	4.544	50	20	DJGD	
CCc1oc2ccccc2c1/C=C(/C#N)C(=O)c1ccoc1C	212637727	NXQVNLKPQTUFQA-RAXLEYEMSA-N	305.333	4.687	50	20	DJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1sccc1Cl	491158020	CAWDJKFFPRFANF-XYOKQWHBSA-N	316.813	4.564	50	20	DJGD	
N#C/C(=C/c1cc2cc(F)ccc2o1)C(=O)c1ccc(F)cc1	741847809	IIAPTJHBIICLQL-LCYFTJDESA-N	309.271	4.501	50	20	DJGD	
Cc1cc(C)c(C(=O)NNc2c(Cl)cccc2Cl)c(C)c1	761893878	YPIKZBFVRFLGEC-UHFFFAOYSA-N	323.223	4.676	50	20	DJGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cccc(Cl)c1)c1ccccc1	787139779	BLUWGVOXCGNLED-QMJOVRGKSA-N	324.811	4.514	50	20	DJGD	
CCCN(N=C(C)CCc1ccccc1F)C(=O)OC(C)(C)C	794998180	JZFVAZBSWDWKNE-UHFFFAOYSA-N	322.424	4.781	50	20	DJGD	
Cc1cccc(Cl)c1NNC(=O)c1sccc1C(C)C	836934862	SQQJOIUDMUUMBV-UHFFFAOYSA-N	308.834	4.590	50	20	DJGD	
Cc1cc(/C=C(\C#N)C(=O)c2cc3ccccc3o2)cc(C)c1O	48417603	NLQFHYCTEXRIKY-CXUHLZMHSA-N	317.344	4.545	50	20	DJGD	
CC(C)[C@H](C)O[C@H]1CCCCCC[C@H]1I	253110813	DDSNMMSCGMZGIS-XQQFMLRXSA-N	324.246	4.574	50	20	DJGD	
N#C/C(=C/c1ccc(SC(F)F)cc1)C(=O)c1ccsc1	588419396	XVMKOONRJHKWPH-GHXNOFRVSA-N	321.373	4.853	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1coc(-c2ccccc2)n1	749892925	VLJVGFKTRUFFTF-ZROIWOOFSA-N	320.373	4.501	50	20	DJGD	
CCc1cccc2c(/C=C(\C#N)C(=O)c3ccc(C)cc3)c[nH]c12	764891974	PVLJKQZKNJTEFC-GZTJUZNOSA-N	314.388	4.829	50	20	DJGD	
CC(C)(C)c1ccc(NNC(=O)CCCc2ccsc2)cc1	783613412	NRQVBJXSKSECDS-UHFFFAOYSA-N	316.470	4.512	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cnc(C(C)(C)C)s2)s1	172522970	SXUJPQBIPGZKCM-YRNVUSSQSA-N	316.451	4.600	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cc(C)ccc1OC(F)F	756789307	WVXAMNVXUFZRII-OJLMPMFISA-N	307.340	4.509	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(F)cc1Br	794873479	FMVSAGJZYDHBMX-XFFZJAGNSA-N	324.193	4.500	50	20	DJGD	
CC(C)[C@H]1N(C(=O)CCCC[C@@H]2CCSS2)CC1(C)C	817217771	HFKHFKZTBBIPCM-UKRRQHHQSA-N	315.548	4.594	50	20	DJGD	
CC(=NNC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2)C(C)C	916356742	YYRRRSUDVGNFTI-CQSZACIVSA-N	320.502	4.661	50	20	DJGD	
CC(C)C(=O)/C(C#N)=C/c1ccc(OCc2ccccc2F)cc1	44027118	BARHDXKIWFBFHU-GZTJUZNOSA-N	323.367	4.537	50	20	DJGD	
CC(C)[C@H](C)O[C@H]1CCCCCC[C@@H]1I	158512977	DDSNMMSCGMZGIS-AVGNSLFASA-N	324.246	4.574	50	20	DJGD	
Cc1oc2ccccc2c1/C=C(/C#N)C(=O)c1cc(F)cc(F)c1	772178000	DWLWJTNXIRRRLK-JYRVWZFOSA-N	323.298	4.809	50	20	DJGD	
C[C@H](C=NNC(=O)c1ccccc1Cl)c1cccc(Cl)c1	1341343599	UXXZVUWJJCZCJB-LLVKDONJSA-N	321.207	4.513	50	20	DJGD	
N#C/C(=C\c1cccc(F)c1)C(=O)c1c[nH]c2cc(Cl)ccc12	59270091	ZCPUWQFIQSUYDO-WUXMJOGZSA-N	324.742	4.750	50	20	DJGD	
CCSc1cc(Cl)ccc1C(=O)NNc1ccc(C)cc1	130924604	DDBOYCLWXFDSHW-UHFFFAOYSA-N	320.845	4.517	50	20	DJGD	
Cc1cccc(NNC(=O)c2ccc(Oc3ccccc3)cc2)c1	215784684	HDNMCPGGOXCOQD-UHFFFAOYSA-N	318.376	4.544	50	20	DJGD	
Cc1nc(/C(C#N)=C/c2cccc(OCCCC#N)c2)sc1C	741467168	KNMQULDKBBSYCT-MHWRWJLKSA-N	323.421	4.507	50	20	DJGD	
Cc1occc1C(=O)/C(C#N)=C/c1c(Cl)oc2ccccc12	761176070	HZNWKBXBRSSETO-DHZHZOJOSA-N	311.724	4.778	50	20	DJGD	
N#C/C(=C\c1cccc(Cl)c1)C(=O)c1ccc(Cl)cc1F	773155657	VZPDOQKOUKDLQX-IZZDOVSWSA-N	320.150	4.922	50	20	DJGD	
CCCCn1nc(C)c(/C=C(\C#N)C(=O)C(C)(C)CC)c1Cl	794874996	QKKWJXDDSZUMEY-JLHYYAGUSA-N	321.852	4.557	50	20	DJGD	
CCCCCCCC(C)=NNC(=O)c1cc2c(s1)CCC2	917572512	YKFCPHKWVROFTA-UHFFFAOYSA-N	306.475	4.703	50	20	DJGD	
C[C@H](NC(=O)CCCC[C@H]1CCSS1)c1ccccc1	78467436	DMRLWLRNXWRNII-ZFWWWQNUSA-N	309.500	4.578	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C\c2nc(-c3ccccc3)c[nH]2)n1	193140084	BWLFYORDUIUQDF-ZSOIEALJSA-N	320.421	4.721	50	20	DJGD	
Cc1occc1C(=O)/C(C#N)=C\c1cc(F)cc(C(F)(F)F)c1	255218713	WOWSWVMDSSAXFL-WCIBSUBMSA-N	323.245	4.536	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1nc(-c2ccccc2)cs1	741474806	RSBUPBBYCVSCBH-QQFZQELXSA-N	310.422	4.722	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C\c3ccc(F)c(Cl)c3)[nH]c12	755406984	PLXQXMFMIUJSQD-GHXNOFRVSA-N	311.747	4.728	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cccc(Cl)c1OCC	782343804	XQQFWKRWXRJTOD-XTCQQWIJSA-N	305.805	4.651	50	20	DJGD	
Cc1cc(/C(C#N)=C\c2cc(Cl)cs2)ccc1[N+](=O)[O-]	782352039	PMZANCJWBGQTBJ-WZUFQYTHSA-N	304.758	4.682	50	20	DJGD	
Cc1ccc(/C=C(/C#N)c2nc(-c3ccncc3)cs2)c(C)c1	60037022	VOKHZSCNOFNDIF-YVLHZVERSA-N	317.417	4.886	50	20	DJGD	
N#C/C(=C\c1cnc(C2CCCC2)s1)c1nc2ccccc2[nH]1	178296432	VONNFJDLABZJIK-UKTHLTGXSA-N	320.421	4.741	50	20	DJGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc3ccccc3o2)cc1	209643928	BJLQNPORGISUHT-VBKFSLOCSA-N	316.360	4.541	50	20	DJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cscc1Cl	771841648	POZGZYIORWFLRO-WUXMJOGZSA-N	316.813	4.564	50	20	DJGD	
N#C/C(=C/c1cc(F)cc(C(F)(F)F)c1)C(=O)C1CCCC1	781552954	GVYXSYKTTNZUQW-XGICHPGQSA-N	311.278	4.511	50	20	DJGD	
N#C/C(=C/c1ccc(OC(F)F)cc1)c1nc(C2CC2)cs1	864095839	HLCLXVOQCMDUST-GHXNOFRVSA-N	318.348	4.686	50	20	DJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)C1CSC1	867422612	ZERBEJWOFJWVHU-UHFFFAOYSA-N	319.320	4.646	50	20	DJGD	
C[C@@H](C=NNC(=O)c1ccccc1Cl)c1cccc(Cl)c1	1341343601	UXXZVUWJJCZCJB-NSHDSACASA-N	321.207	4.513	50	20	DJGD	
CCc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)cc1	16437071	GPXQRPATWSQDRK-XDHOZWIPSA-N	318.420	4.720	50	20	DJGD	
C=CCOc1cccc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)c1	774557387	FBROUJUJPVMBCO-GZTJUZNOSA-N	320.348	4.532	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccsc1C(F)F	820007738	BGYIWGPRPXEDRU-UHFFFAOYSA-N	324.396	4.874	50	20	DJGD	
C=C(C)CCC(=O)Nc1c(CC)cc(SC#N)cc1CC	1339711308	GEUDXCZCXDOQGT-UHFFFAOYSA-N	302.443	4.679	50	20	DJGD	
O=C(NNc1cccc2c1CCCC2)c1csc2ccccc12	748589512	YAGYXAIKIFLHCB-UHFFFAOYSA-N	322.433	4.537	50	20	DJGD	
N#C/C(=C\c1ccccc1C1CC1)C(=O)Nc1ccccc1Cl	750818315	SLPBULBUCMXBIO-RVDMUPIBSA-N	322.795	4.763	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc(F)cc(C(F)(F)F)c1	772807293	QYXPSFXQKGDRFG-IUIMMGEKSA-N	313.294	4.757	50	20	DJGD	
Cc1cc(/C(C#N)=C/c2nccc3ccccc23)ccc1[N+](=O)[O-]	774557045	AFNWYKPCEOBJRX-LFIBNONCSA-N	315.332	4.516	50	20	DJGD	
Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc2cccnc12	783697406	QDBZMCOMVQRYBV-BOPFTXTBSA-N	315.332	4.516	50	20	DJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2ccsc2Cl)c1	790101099	UPQCMCWRKWZOCG-RIYZIHGNSA-N	301.798	4.808	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(CSC(F)F)o1	794875397	UTZJXBGMLKUETB-YFHOEESVSA-N	313.369	4.648	50	20	DJGD	
Cc1cc(/C=C(\C#N)c2ccccn2)ccc1Oc1cccnc1	171981039	OBAFPJZVSLJQOG-SFQUDFHCSA-N	313.360	4.642	50	20	DJGD	
COc1ccccc1-c1ccc(/C=C(\C#N)c2ccccn2)cc1	172690821	ACVXLTJXEFRQMV-NBVRZTHBSA-N	312.372	4.821	50	20	DJGD	
CCn1c(C)cc(/C=C(\C#N)C(=O)c2cccc(C)c2C)c1C	728286783	GRHBQAMCOGFDNM-WOJGMQOQSA-N	306.409	4.532	50	20	DJGD	
Cc1cccc(C)c1/C=C(\C#N)C(=O)c1c[nH]c2ccccc12	755572293	MTUSTMGLCSPURA-XNTDXEJSSA-N	300.361	4.575	50	20	DJGD	
CCCN(N=C/C(C)=C\c1ccccc1)C(=O)OC(C)(C)C	794993119	PGKGAYOMKBYQTD-HCRZQDDKSA-N	302.418	4.723	50	20	DJGD	
CC(C)n1cc(/C=C(/C#N)C(=O)c2ccc(C(C)(C)C)cc2)cn1	255839954	BHSXOUZQJADVQN-YVLHZVERSA-N	321.424	4.551	50	20	DJGD	
N#C/C(=C\c1cccc(F)c1F)c1nc2cc(F)ccc2s1	730729099	DGTYRNMQWGPFOZ-UXBLZVDNSA-N	316.307	4.778	50	20	DJGD	
CC(C)(C)c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1	33410030	HGNQRXQIGJIDJL-QINSGFPZSA-N	322.383	4.669	50	20	DJGD	
O=C(NNc1ccccc1)c1ccccc1Sc1ccccc1	151257960	SXUAKZDLQVEMLO-UHFFFAOYSA-N	320.417	4.595	50	20	DJGD	
Cc1csc(/C(C#N)=C\c2ccc(Br)c(C)c2)n1	174010109	DKIRVHRBGCJREV-SDQBBNPISA-N	319.227	4.587	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(N2CCCCC2)cc1	726117557	ACLKIWRFCPFMFA-NBVRZTHBSA-N	310.441	4.589	50	20	DJGD	
C/C(=C\C(=O)NNc1ccccc1Cl)c1ccccc1Cl	748303329	QFBQFVHOBWPFCG-ZHACJKMWSA-N	321.207	4.540	50	20	DJGD	
CCCCOc1ccccc1/C=C(/C#N)C(=O)c1ccccc1	59399080	BKMRVJSKWBSDGL-JXAWBTAJSA-N	305.377	4.655	50	20	DJGD	
N#C/C(=C\c1nc(-c2ccccc2)cs1)C(=O)c1ccsc1	727974062	DZRWEVVHTZIOAP-RIYZIHGNSA-N	322.414	4.661	50	20	DJGD	
Cc1cc(C)c(NNC(=O)c2ccc(C(C)(C)C)cc2)c(C)c1	743764677	UDQSNQRZWZMTMX-UHFFFAOYSA-N	310.441	4.666	50	20	DJGD	
CC(/C=C(/C#N)C(=O)c1ccc2ncccc2c1)=C\c1ccccc1	794964388	BNIHPQATADVFNI-UVBZOIGOSA-N	324.383	4.971	50	20	DJGD	
CCOc1ccccc1/C=C(/C#N)c1ncc(C(C)(C)C)s1	797399814	WLFOSGZFKHEGOP-UVTDQMKNSA-N	312.438	4.903	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(Cl)cs2)cc1C	809145842	HJYXBJIRBPLHDK-MLPAPPSSSA-N	301.798	4.808	50	20	DJGD	
N#C/C(=C/c1cccc(O)c1)c1nc(-c2ccccc2)cs1	96814764	OBGFYHUPUDOYBV-DHDCSXOGSA-N	304.374	4.580	50	20	DJGD	
Cc1ccc(-c2n[nH]cc2/C=C(/C#N)c2nc(C)c(C)s2)cc1	741475244	WNYUAYUTRKOCFP-NVNXTCNLSA-N	320.421	4.523	50	20	DJGD	
C[C@H](NC(=O)CCCC[C@@H]1CCSS1)C1CCCCC1	741707477	GROGKOYAFBCCEZ-DZGCQCFKSA-N	315.548	4.786	50	20	DJGD	
O=C(NNc1ccccc1F)c1ccc(C2CCCCC2)cc1	748057067	DRJYNRSNNKWJKV-UHFFFAOYSA-N	312.388	4.630	50	20	DJGD	
CCn1c2ccccc2c2cc(/C=C(/C#N)c3ccncn3)ccc21	758913836	DDJRNOCGQUZTSM-WJDWOHSUSA-N	324.387	4.669	50	20	DJGD	
CC(C)CC[C@@H](C)NC(=O)CCCC[C@@H]1CCSS1	849368036	ONDBCNMVVLGFSR-ZIAGYGMSSA-N	303.537	4.641	50	20	DJGD	
N#C/C(=C/c1ccc(-c2ccccc2)o1)C(=O)c1ccc(F)cc1	917518640	HXKQYGZQVSVEEP-VBKFSLOCSA-N	317.319	4.876	50	20	DJGD	
N#C/C(=C\c1ccc(-c2ccccc2)s1)C(=O)c1ccoc1	1326959596	CUGFKRXEECLVSQ-XNTDXEJSSA-N	305.358	4.798	50	20	DJGD	
CCc1ccc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)s1	783688150	TYUWAAGGMRVUKM-CLFYSBASSA-N	307.827	4.815	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@H](C)c1ccccc1F	812764914	NASGKLCCUNAIEB-CQSZACIVSA-N	314.404	4.504	50	20	DJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2ccc(OCC)cc2)cc1	915852004	HWYZIXZQCCPINP-RGEXLXHISA-N	319.404	4.828	50	20	DJGD	
Cc1csc(/C(C#N)=C/c2cccc(-c3ccccn3)c2)n1	158316051	MVLNVOOLIMCDDU-MHWRWJLKSA-N	303.390	4.578	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cnc(-c2cccs2)s1	177615876	ZBKMTTAYRWNMMI-SERMCNLOSA-N	316.451	4.784	50	20	DJGD	
N#C/C(=C/c1ccc2ccccc2c1)C(=O)Nc1ccc(F)cc1	212594998	YYALSSXEWJDGBY-ATVHPVEESA-N	316.335	4.525	50	20	DJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(-c2c(F)cccc2F)o1	734368921	ZQGDCXGIWSGRKS-UTEVDWOZSA-N	315.319	4.747	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc(C)c(C)cc1OC(F)F	742434648	MBONSUGABLTCPP-GPILYODUSA-N	321.367	4.817	50	20	DJGD	
CCOc1c(Cl)cccc1/C=C(\C#N)C(=O)c1ccccc1	779220928	LKJHIIMJADVNOZ-RVDMUPIBSA-N	311.768	4.529	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2ncc(C(C)(C)C)s2)c1C	790600993	PUYALXFJTPMZCS-NTEUORMPSA-N	324.449	4.847	50	20	DJGD	
O=C(CCl)Nc1cccc(Sc2ccc(Cl)cc2)c1	1320465917	REOONLPPFHEBEH-UHFFFAOYSA-N	312.221	4.669	50	20	DJGD	
N#C/C(=C/c1cccc(F)c1)C(=O)Nc1cccc2ccccc12	213096123	VKKBMXTVZDEGJL-WJDWOHSUSA-N	316.335	4.525	50	20	DJGD	
N#C/C(=C/c1cc(F)cc(F)c1)c1nc2cc(F)ccc2s1	755407471	WLFDQTNQJFKWLA-KMKOMSMNSA-N	316.307	4.778	50	20	DJGD	
Cc1cc(Cl)ccc1/C=C(/C#N)C(=O)Nc1cccc(C)c1C	767341334	ZCFNGDFYJDBOTH-YBEGLDIGSA-N	324.811	4.811	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(F)c(F)c(F)c2)cc1C	809145722	DNROKADAGCPBRZ-NSIKDUERSA-N	315.294	4.511	50	20	DJGD	
CCCC[C@@H]1CCCC1=NNC(=O)c1cc2ccccc2cc1O	727250120	JEQKUBUHAONQRC-CQSZACIVSA-N	324.424	4.622	50	20	DJGD	
N#C/C(=C/C=C/c1ccc(F)cc1)C(=O)c1c[nH]c2ccccc12	747695054	GFJFGFXABKFVOV-HSNGZWOFSA-N	316.335	4.653	50	20	DJGD	
N#C/C(=C/c1sccc1Br)C(=O)C1CCCCC1	764886087	LHLMJDPWHHZBKS-FLIBITNWSA-N	324.243	4.567	50	20	DJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccccc1C(F)(F)F	1317702462	GOMAZKRGVMIDIT-UVTDQMKNSA-N	315.294	4.804	50	20	DJGD	
CCc1oc2ccccc2c1/C=C(\C#N)C(=O)c1ccccc1	7766583	HQWIIFFPJWKUDY-NTCAYCPXSA-N	301.345	4.785	50	20	DJGD	
CC(C)(C)C1CCC(=NNC(=O)c2ccc3ccccc3n2)CC1	20926403	BBIXOHIMSQHFLD-UHFFFAOYSA-N	323.440	4.557	50	20	DJGD	
CCCOc1ccc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)cc1	735616894	LYTAZEXADTYNJT-VBKFSLOCSA-N	317.392	4.724	50	20	DJGD	
Cc1cc2cc(/C=C(\C#N)C(=O)c3ccccc3F)oc2cc1C	749807158	KWRPGOOVBDYSIG-XNTDXEJSSA-N	319.335	4.979	50	20	DJGD	
Cc1cc2cc(/C=C(\C#N)c3nc4ccccc4[nH]3)oc2cc1C	749810059	IEOFZDLOIWEADE-XNTDXEJSSA-N	313.360	4.990	50	20	DJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccsc2Cl)c1C	790101336	MOSZTLSICYZJON-MDWZMJQESA-N	316.813	4.564	50	20	DJGD	
O=C(NN=C1CCCCC12CCCC2)c1ccc(Cl)cc1	814688024	GAQYKZJXSFIRIY-UHFFFAOYSA-N	304.821	4.560	50	20	DJGD	
CC(C)c1ccc(/C=C(/C#N)C(=O)CC(C)(C)C)cc1[N+](=O)[O-]	918713536	KTTAWRUUCGLFTN-ZSOIEALJSA-N	314.385	4.630	50	20	DJGD	
Cc1cc(Cl)ccc1NNC(=O)c1sccc1C(C)C	928336172	CZCVWECRTMOZID-UHFFFAOYSA-N	308.834	4.590	50	20	DJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1cccc(Cl)c1	49784516	NWVNOCQWNIPQQE-CYBMUJFWSA-N	315.891	4.993	50	20	DJGD	
Cc1nc(/C(C#N)=C/c2cccc(-c3ccccn3)c2)sc1C	158850155	LDMDRCMLBDJWNU-GZTJUZNOSA-N	317.417	4.886	50	20	DJGD	
O=C(NN=C1CC[C@@H]2CCCC[C@H]2C1)c1cccc2ccccc12	741462586	KNKPVQOMLZZYOJ-RDJZCZTQSA-N	320.436	4.916	50	20	DJGD	
C[C@H](C(=O)NNc1ccccc1Cl)c1ccc2ccccc2c1	748330665	BQRKTKBFPWZVHP-ZDUSSCGKSA-N	324.811	4.740	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C\c3cccc(Cl)c3F)[nH]c12	759643543	NGIMLUABUQSTQF-WQLSENKSSA-N	311.747	4.728	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cccc(CCl)c2)cc1C	809160381	OANRMHIAEJDBJB-VCHYOVAHSA-N	309.796	4.832	50	20	DJGD	
CC(C)CC[C@@H]1CCCC1=NNC(=O)c1cccc2ncccc12	730146675	CKAUWXKXJAQAJZ-HNNXBMFYSA-N	323.440	4.557	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C/C=C/c3ccc(F)cc3)[nH]c12	747694448	XSIAHLUGMKJPJT-PVZSTHCMSA-N	303.340	4.631	50	20	DJGD	
Cc1ccc(F)c(NNC(=O)[C@@H](C)c2ccc3ccccc3c2)c1	760131471	OWRIUMTWDTXCGE-AWEZNQCLSA-N	322.383	4.534	50	20	DJGD	
N#C/C(=C/c1nccc2ccccc12)C(=O)c1ccc(Cl)s1	783687168	GSQRYNYREWWFED-XFXZXTDPSA-N	324.792	4.740	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1csc(Cl)c1Cl	794874690	NIMNJPAWOIHTPX-VMPITWQZSA-N	302.226	4.967	50	20	DJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1csc2ccccc12	1322000971	NCWZJMOLDGTDJL-UVTDQMKNSA-N	303.386	5.000	50	20	DJGD	
C[C@@H](c1ccco1)N(C)C(=O)CCCC[C@@H]1CCSS1	252157618	HJLGWXLWOTWYGT-QWHCGFSZSA-N	313.488	4.513	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C\c2nccc3ccccc23)n1	747436958	NVCVLBOUKUORKO-ZROIWOOFSA-N	305.406	4.879	50	20	DJGD	
N#C/C(=C/C=C\c1ccc(F)cc1)c1ccc2ccccc2n1	747694744	DMJKKJGXTLJZBJ-NPVPWKDHSA-N	300.336	4.994	50	20	DJGD	
N#C/C(=C\c1cc(F)cc(F)c1)c1nc2cc(F)ccc2s1	755407472	WLFDQTNQJFKWLA-XCVCLJGOSA-N	316.307	4.778	50	20	DJGD	
N#C/C(=C\c1cccc(Cl)c1Cl)C(=O)c1ccccc1	6529099	YENCDKKCSKRGSB-UKTHLTGXSA-N	302.160	4.783	50	20	DJGD	
C=CCOc1ccc(/C=C(/C#N)C(=O)CC(C)(C)C)cc1Cl	727267404	SULJWIVPOUVAIS-ZROIWOOFSA-N	317.816	4.817	50	20	DJGD	
Cc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c1C	731155694	PZZBINQPWSXGAL-XNTDXEJSSA-N	310.784	4.503	50	20	DJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cc(F)c(F)cc2F)c1	767712796	ICIYHEIRJXWYBP-NSIKDUERSA-N	315.294	4.511	50	20	DJGD	
Cc1cc(Cl)ccc1/C=C(/C#N)c1cnc2ccccc2n1	790229125	YGGQLSGHLLKBNK-ZROIWOOFSA-N	305.768	4.656	50	20	DJGD	
Cc1cc(/C=C(/C#N)c2cnc3ccccc3n2)cc2cccnc12	790231864	ZJPWNQLOPIVLFZ-BOPFTXTBSA-N	322.371	4.551	50	20	DJGD	
N#C/C(=C/c1cccs1)c1ncc(C(F)(F)F)cc1Cl	810251771	XATQKTOQFUCTPA-YWEYNIOJSA-N	314.719	4.879	50	20	DJGD	
CC(C)COc1ccc(/C=C(/C#N)C(=O)c2ccccc2)cc1	14150826	YBLJGNQVMZTCCK-PDGQHHTCSA-N	305.377	4.511	50	20	DJGD	
N#C/C(=C\c1c(Cl)oc2ccccc12)C(=O)Nc1ccccc1	761176940	PQLVLBFNDNMSRQ-ZRDIBKRKSA-N	322.751	4.632	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(Br)cc1F	794875725	XZHCELBXUVLLOL-YRNVUSSQSA-N	324.193	4.500	50	20	DJGD	
CCc1cccc(C)c1NNC(=O)c1c(Cl)cccc1Cl	799754632	NHUOEDIVCRNTJC-UHFFFAOYSA-N	323.223	4.621	50	20	DJGD	
CCCN(N=C(C)[C@@H]1C[C@H]1c1cccs1)C(=O)OC(C)(C)C	841635790	AOMCAYKRCOGCQT-UONOGXRCSA-N	322.474	4.875	50	20	DJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1F	731489808	MZMNDLJYBKSZRO-DHDCSXOGSA-N	318.351	4.714	50	20	DJGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(/C#N)C(=O)c2cc3ccccc3o2)o1	733782927	KWKOGBTWUZABKR-NKAWFHAUSA-N	317.344	4.939	50	20	DJGD	
O=C(NNc1cccc(Cl)c1)c1ccc(C2CCCC2)cc1	810022001	VRVFAVDHFDCPSB-UHFFFAOYSA-N	314.816	4.755	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cscc2C(F)(F)F)cc1	811627993	KJCCYVHKYQDRBM-SDQBBNPISA-N	321.323	4.865	50	20	DJGD	
Cc1ccc(NNC(=O)c2cc(C)c(Cl)cc2C)cc1Cl	1326874516	ULFVQNGLRXCREZ-UHFFFAOYSA-N	323.223	4.676	50	20	DJGD	
N#C/C(=C\c1sccc1Cl)C(=O)c1c[nH]c2ccccc12	195224511	KELJAYPKPAQAJJ-JXMROGBWSA-N	312.781	4.673	50	20	DJGD	
O=C(NN=Cc1cccc2ccccc12)c1cccc2ccccc12	254697605	ZYADGOOEUXSWSF-UHFFFAOYSA-N	324.383	4.757	50	20	DJGD	
Cc1ccsc1/C=C(/C#N)C(=O)c1ccc(Cl)cc1F	255417789	CKSUQZSLBNDAPP-POHAHGRESA-N	305.761	4.639	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc3ccccc3c2)s1	729820665	VBROPHLVVDYUBI-BOPFTXTBSA-N	303.386	5.000	50	20	DJGD	
COc1cccc2cc(/C=C(/C#N)C(=O)c3ccc(C)cc3)oc12	764892791	ZXBWDVAFPMESRX-WJDWOHSUSA-N	317.344	4.540	50	20	DJGD	
Cc1csc(/C(C#N)=C\c2cscc2C(F)(F)F)n1	811626891	PGMHNOYCGWXSOU-WAPJZHGLSA-N	300.330	4.596	50	20	DJGD	
N#C/C(=C\c1csc2ccccc12)C(=O)Nc1ccccc1F	192538230	GCQCRLBJTCYUSF-FMIVXFBMSA-N	322.364	4.586	50	20	DJGD	
CC(=C/c1ccccc1)/C=C(/C#N)c1nc(-c2ccccc2)no1	733782294	OYCYARMKGVUNIC-MIXLFBTASA-N	313.360	4.747	50	20	DJGD	
CCC[C@@H](C(=O)NNc1ccc(Cl)c(F)c1)c1ccccc1	746700951	DJGSOXXYKZMHMN-CQSZACIVSA-N	320.795	4.506	50	20	DJGD	
O=C(NN=C1CCC2(CCCC2)CC1)c1ccc(Cl)cc1	811629220	MISNPXMTQXAUNW-UHFFFAOYSA-N	304.821	4.560	50	20	DJGD	
CCCC(CCC)=NNC(=O)c1cc2c(s1)CC[C@H](C)C2	4953029	RSJCUDCLGUJQIC-LBPRGKRZSA-N	306.475	4.559	50	20	DJGD	
N#C/C(=C\c1cccc(Cl)c1)c1nc(-c2ccncc2)cs1	141735902	UDUZJRNXCKSJRP-RIYZIHGNSA-N	323.808	4.923	50	20	DJGD	
Cc1occc1C(=O)/C(C#N)=C/c1cc(C(F)(F)F)ccc1F	172000461	VJRXAZLVNBHWDP-IZZDOVSWSA-N	323.245	4.536	50	20	DJGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1csc(-c2cccs2)n1	728440483	OGKUZKASGLQNSF-YRNVUSSQSA-N	316.451	4.784	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2c(F)cccc2Cl)s1	729850292	WMJRJMJJNAJEDA-JXMROGBWSA-N	305.761	4.639	50	20	DJGD	
Cc1cccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)c1C	731155626	NBRZHVDGWTTYRH-YBEGLDIGSA-N	324.811	4.811	50	20	DJGD	
O=C(CCCC[C@H]1CCSS1)N[C@H]1CC12CCCCC2	770869279	NTAVABJIXJQTTF-KBPBESRZSA-N	313.532	4.540	50	20	DJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cc(Cl)cc(C(F)(F)F)c1	780153714	RUFVLLABVDZUAI-AXNBSVLLSA-N	315.722	4.881	50	20	DJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2ccc(F)c(C#N)c2)s1	797406057	AHXHXDYUWUOTPR-NTUHNPAUSA-N	311.385	4.516	50	20	DJGD	
CCOC[C@@H](C)NCc1cccc(S(F)(F)(F)(F)F)c1	840894084	RGJPFWRBVXXOMX-SNVBAGLBSA-N	319.339	4.859	50	20	DJGD	
CC[C@@H](COC)NCc1cccc(S(F)(F)(F)(F)F)c1	840894673	XIALFRRHNCZAOB-NSHDSACASA-N	319.339	4.859	50	20	DJGD	
CCCc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)s1	856720164	DJVDVLWJEYDUBG-RVDMUPIBSA-N	324.449	4.863	50	20	DJGD	
CCc1cccc2c(/C=C(\C#N)C(=O)c3sccc3C)c[nH]c12	915989975	HXGPELNHSKULPS-NTEUORMPSA-N	320.417	4.890	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C/c2cccc(OC(F)F)c2)n1	176918815	BHWOERDYTSXFEX-WUXMJOGZSA-N	320.364	4.932	50	20	DJGD	
CC(/C=C(/C#N)C(=O)Nc1cccc(C)c1C)=C\c1ccccc1	211571261	CMEZYBGXEFACSU-JGEPBQDUSA-N	316.404	4.795	50	20	DJGD	
C[C@@H](C=NNC(=O)c1c(Cl)cccc1Cl)c1ccccc1	727781851	YOTWERQJEMPDLC-NSHDSACASA-N	321.207	4.513	50	20	DJGD	
Cc1nc(/C(C#N)=C\c2ccc(OC(F)F)c(F)c2)sc1C	754684905	LEXOFJIJDBDRDA-WZUFQYTHSA-N	324.327	4.565	50	20	DJGD	
N#C/C(=C/c1cc(Cl)cs1)C(=O)c1cccc(Cl)c1	780006295	YMUSGBBRRVBBCB-YHYXMXQVSA-N	308.189	4.845	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2ccc3occc3c2)c1C	794692152	SGLPYSLZKPKAMQ-GZTJUZNOSA-N	301.345	4.840	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C/c2c[nH]c(C(F)(F)F)c2)n1	834430541	RIKNXLVJQSHHLJ-XCVCLJGOSA-N	311.332	4.678	50	20	DJGD	
Cc1ccc(Sc2ccc(NC=C(C#N)C#N)cc2)c(C)c1	15242906	OMVJLJWEMJKLSS-UHFFFAOYSA-N	305.406	4.798	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H](C)C(C)C	175629939	QEHDBKCNTHLHGB-GFCCVEGCSA-N	304.459	4.615	50	20	DJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N1CCCC1	181783099	XBYWKSLFTKIQFE-UHFFFAOYSA-N	316.295	4.972	50	20	DJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(F)cc2C)c1C	750893007	LKKMBXFVVSXZNW-GZTJUZNOSA-N	322.383	4.528	50	20	DJGD	
Cc1ccc(C)c(/C=C(\C#N)C(=O)c2ccc(Cl)cc2F)c1	773153288	DROLQXBIDVVLGJ-RIYZIHGNSA-N	313.759	4.886	50	20	DJGD	
C[C@@H]1CN(C(=O)CCCC[C@H]2CCSS2)CC(C)(C)C1	784713666	MURODTBMPVFRSA-KBPBESRZSA-N	315.548	4.595	50	20	DJGD	
CC(=C\c1ccccc1OC(F)F)/C=C(\C#N)C(=O)C(C)(C)C	811685367	PYDUJPINHIKUFJ-USTLKGCXSA-N	319.351	4.756	50	20	DJGD	
C[C@@H](CC(C)(C)C#N)OC(=O)CCCC[C@H]1CCSS1	851211849	CYSZPEXEVZGEFH-STQMWFEESA-N	315.504	4.572	50	20	DJGD	
Cc1cc(C)cc(NNC(=O)c2cc3ccc(C(C)C)cc3[nH]2)c1	915258954	CTTPBUGSHUDIHA-UHFFFAOYSA-N	321.424	4.665	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C/c2ncccc2C(F)(F)F)n1	119638430	GJFLJMCNSBVWFB-UXBLZVDNSA-N	323.343	4.744	50	20	DJGD	
CC(C)COc1ccc(/C=C(\C#N)C(=O)c2ccccc2)cc1	209638057	YBLJGNQVMZTCCK-LDADJPATSA-N	305.377	4.511	50	20	DJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2cnc(Cl)c(C)c2)cc1	760209673	DANJKSCWRGJIPJ-LICLKQGHSA-N	324.811	4.786	50	20	DJGD	
N#C/C(=C/c1ccc(F)c(Cl)c1Cl)C(=O)c1ccoc1	806556344	BNGSSMCSVNATGR-YHYXMXQVSA-N	310.111	4.515	50	20	DJGD	
CCCN(CC(C)C)C(=O)CCCC[C@@H]1CCSS1	914505250	VTYJCAWECHHNPO-CQSZACIVSA-N	303.537	4.595	50	20	DJGD	
CC(C)CCC(=O)NNc1c(Cl)cc(Cl)cc1Cl	28509587	KMMAXHQYSZMYRM-UHFFFAOYSA-N	309.624	4.526	50	20	DJGD	
Cc1nc(/C(C#N)=C\c2ccccc2C(F)(F)F)sc1C	125450659	WGMAFRNPHISZOV-GHXNOFRVSA-N	308.328	4.843	50	20	DJGD	
CCCOc1cccc(/C=C(\C#N)C(=O)c2ccc(C)s2)c1	729819831	GCXRCOFIWBKPDI-XNTDXEJSSA-N	311.406	4.635	50	20	DJGD	
CC(C)Sc1cccc(Cl)c1/C=C(\C#N)c1ccncn1	782351465	LMBFRRJOZVVQPN-XYOKQWHBSA-N	315.829	4.695	50	20	DJGD	
N#C/C(=C/c1ccccc1F)C(=O)c1cc2ccccc2s1	788332288	SDTOJJNWNJFMNT-ZROIWOOFSA-N	307.349	4.830	50	20	DJGD	
C[C@H]1Cc2ccccc2N1C(=O)CCCC[C@@H]1CCSS1	913189099	YSHJEEOVRWBNAX-DZGCQCFKSA-N	321.511	4.678	50	20	DJGD	
N#C/C(=C\c1ccccc1Cl)C(=O)c1c[nH]c2ccccc12	23217964	DHSHHWMKKODHEK-UKTHLTGXSA-N	306.752	4.611	50	20	DJGD	
Cc1ccc(NC(=O)CCCC[C@H]2CCSS2)c(C)c1	33981086	BNDCSNUBXFFZPY-AWEZNQCLSA-N	309.500	4.956	50	20	DJGD	
N#C/C(=C/c1cccc(OC(F)F)c1)c1ccc2ccccc2n1	140203515	KUTPKWABMRBMNT-GDNBJRDFSA-N	322.314	4.900	50	20	DJGD	
Cc1cc(C)cc(NC(=O)CCCC[C@@H]2CCSS2)c1	302688139	MNCSBXDDDYYXLY-OAHLLOKOSA-N	309.500	4.956	50	20	DJGD	
C/C(=C/C(=O)NNc1cc(C)cc(C)c1)c1ccccc1Cl	748352781	LKXBGEYNEDEBBK-KAMYIIQDSA-N	314.816	4.503	50	20	DJGD	
Cc1cc2cc(/C=C(/C#N)C(=O)c3ccccc3)oc2cc1C	749809651	GYSWOHLPRJHVKV-BOPFTXTBSA-N	301.345	4.840	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cc(Br)ccc1F	794873944	IHPOSTFKQXKSAF-XFFZJAGNSA-N	324.193	4.500	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cocc1C	875100631	VNRHAAMMQGVMPV-UHFFFAOYSA-N	314.410	4.538	50	20	DJGD	
Cc1ccc(NNC(=O)c2cccc(Oc3ccccc3)c2)cc1	912596613	OFHJISQHRJVYJP-UHFFFAOYSA-N	318.376	4.544	50	20	DJGD	
CCN(C(=O)CCCC[C@@H]1CCSS1)C1CCCCC1	914759263	VWNQYXNBNZPMDC-OAHLLOKOSA-N	315.548	4.882	50	20	DJGD	
C/C(C=NNC(=O)c1cccc2ccccc12)=C\c1ccccc1	254738566	GOLLMEXJGQFEGV-YCLPKKEZSA-N	314.388	4.659	50	20	DJGD	
CN(Cc1ccc(Cl)s1)/C(=C\C#N)c1ccc(F)cc1	750600050	PWUFILHLBIRQMW-ZSOIEALJSA-N	306.793	4.537	50	20	DJGD	
COc1ccccc1/C=C(/C#N)C(=O)c1cc2ccccc2s1	788331478	MZBGWOBDVPDCJE-GDNBJRDFSA-N	319.385	4.700	50	20	DJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)cc1C	915990163	JGEGTXHELFMNGW-OVCLIPMQSA-N	318.351	4.714	50	20	DJGD	
Cc1csc(/C(C#N)=C/c2ccc(Br)cc2C)n1	164633526	ZACJBRTUVILHLU-WUXMJOGZSA-N	319.227	4.587	50	20	DJGD	
Cc1cccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)c1	206972090	KCAINFONCROACE-ZSOIEALJSA-N	320.779	4.920	50	20	DJGD	
Cc1ccc(F)cc1/C=C(/C#N)C(=O)c1cc2ccccc2o1	777871351	KVEHXCNXVCAMGZ-NVNXTCNLSA-N	305.308	4.670	50	20	DJGD	
N#C/C(=C\c1cc(C#N)cs1)C(=O)c1cc2ccccc2s1	788326739	GPHYGSHBYIKYRM-AWNIVKPZSA-N	320.398	4.624	50	20	DJGD	
Cc1cc2occ(CC(=O)NNc3ccccc3)c2cc1C(C)C	97637531	LZKHJANFCNKDHW-UHFFFAOYSA-N	322.408	4.550	50	20	DJGD	
Cc1sc2nc(C(C)(C)CCCCCl)nc(O)c2c1C	766287042	CFTTVRLWBUWBTI-UHFFFAOYSA-N	312.866	4.700	50	20	DJGD	
CSc1cc(/C(C#N)=C/c2ccc(Cl)c(Cl)c2)ncn1	773176896	RDOUPXPIGLGFRS-ONNFQVAWSA-N	322.220	4.569	50	20	DJGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(Cl)s2)cc1C	783688499	YRLFAPCROSBTFX-XYOKQWHBSA-N	317.797	4.508	50	20	DJGD	
Cc1cnc([C@@H](C)N2CCC[C@@H](O[Si](C)(C)C(C)(C)C)C2)o1	844335609	GQOZTKWCCIFLPT-HUUCEWRRSA-N	324.541	4.530	50	20	DJGD	
CCCCCCOc1ccc(C(=O)NN=C(C)CCC)cc1	916285320	FJQVMYQVGOGOOK-UHFFFAOYSA-N	304.434	4.552	50	20	DJGD	
N#C/C(=C\c1ccc(Cl)s1)c1nc(-c2ccccc2)no1	14178064	NGIIBBDXMYMIAC-DHZHZOJOSA-N	313.769	4.516	50	20	DJGD	
CC[C@@H]1CCCC(=NNC(=O)c2ccc(Cl)cc2Cl)C1	734978141	UUGTYBHKQFPIMC-SNVBAGLBSA-N	313.228	4.679	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(N(CC)CC)c(F)c1	741473036	DYSGROXFKNXYMV-DSQDWWTGSA-N	316.420	4.584	50	20	DJGD	
COc1ccc(/C=C(\C#N)c2nc(C)c(C)s2)c2ccccc12	741475249	WRSHVRKRLDMNPR-XNTDXEJSSA-N	320.417	4.986	50	20	DJGD	
Cc1nc(/C(C#N)=C/c2nc(C(C)C)n3ccccc23)sc1C	762600052	GRKQHXAOLSXNGQ-NTEUORMPSA-N	322.437	4.595	50	20	DJGD	
CC(CCc1ccsc1)=NNC(=O)c1ccc2ccccc2c1	764904039	HUCHFHHYVHSNQH-UHFFFAOYSA-N	322.433	4.640	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc(F)cc(C(F)(F)F)c1	772807295	QYXPSFXQKGDRFG-YIVIPITNSA-N	313.294	4.757	50	20	DJGD	
N#C/C(=C/c1cc(Cl)cs1)C(=O)Nc1ccc(Cl)cc1	779221443	VSBCRLAMAGXPAT-UITAMQMPSA-N	323.204	4.601	50	20	DJGD	
Cc1ccc(C)c(/C=C(/C#N)C(=O)c2ccc(Cl)s2)c1	783688550	ZOUSBBPFUNNXRP-JYRVWZFOSA-N	301.798	4.808	50	20	DJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc([C@@H]3C[C@@H]3C)o2)c(C)c1	8117417	XOJMIBGBVZDHJC-QAZQYGAVSA-N	320.392	4.566	50	20	DJGD	
Cc1cccc(NNC(=O)CCCc2csc3ccccc23)c1	755691198	XJGPPQRCNIOUCF-UHFFFAOYSA-N	324.449	4.676	50	20	DJGD	
N#C/C(=C/c1cc(C#N)cs1)C(=O)c1cc2ccccc2s1	788326740	GPHYGSHBYIKYRM-MLPAPPSSSA-N	320.398	4.624	50	20	DJGD	
COc1ccc(/C=C(\C#N)c2nc(C3CC3)cs2)cc1Cl	843263063	ABGJKMYYBYQQJC-WUXMJOGZSA-N	316.813	4.747	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccsc1Cl	854580072	VXESAKSGIIFEEW-UHFFFAOYSA-N	308.834	4.590	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cnc(C(C)(C)C)s2)s1	78162560	SXUJPQBIPGZKCM-XFFZJAGNSA-N	316.451	4.600	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cccc(OC(C)C)c2)cc1	764886222	OKTTYOQVSRXDEW-WOJGMQOQSA-N	305.377	4.572	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C/c3ncc(C(C)(C)C)s3)[nH]c12	790600858	NVTXAILWOSEHGR-XYOKQWHBSA-N	322.437	4.690	50	20	DJGD	
CC(C)c1ccc([C@H](C)CC(=O)N(C)CC(Cl)Cl)cc1	819843990	XXEBHQJIPYBGGH-GFCCVEGCSA-N	316.272	4.566	50	20	DJGD	
Cc1nc(/C(C#N)=C\c2ccc(Br)cc2)sc1C	125414932	IFZALZQZAVUUGF-GHXNOFRVSA-N	319.227	4.587	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cnc(C3CCC3)s2)s1	155225788	GYDZBFGNYXDPIF-KPKJPENVSA-N	314.435	4.570	50	20	DJGD	
CC(C)N(C(=O)CCCC[C@H]1CCSS1)C1CCCC1	732761211	CACJINPITOAKEW-HNNXBMFYSA-N	315.548	4.880	50	20	DJGD	
Cc1cc(C)cc(NNC(=O)[C@@H](C)c2ccc3ccccc3c2)c1	748381200	VCQPHWCDOJSSRH-INIZCTEOSA-N	318.420	4.703	50	20	DJGD	
CCC[C@H]1CCCCN1C(=O)CCCC[C@H]1CCSS1	754594506	HYDGTTKAFNGONW-GJZGRUSLSA-N	315.548	4.882	50	20	DJGD	
N#C/C(=C/c1cc(Cl)ccc1F)C(=O)c1cc(F)cc(F)c1	772177741	ZFLPSDTYCMWHAB-JYOAFUTRSA-N	321.685	4.547	50	20	DJGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc(-c2cccc(F)c2F)o1	790099380	FUIAPOUAZICNEJ-FMIVXFBMSA-N	315.319	4.747	50	20	DJGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2csc3ccccc23)c1	810197851	YKIJCGGINAXCKY-GXDHUFHOSA-N	318.401	4.755	50	20	DJGD	
Cc1ccc(-c2nc(/C=C(\C#N)c3nc(C)cs3)cs2)cc1	125398831	ITFXQYAOQFVDNU-VGOFMYFVSA-N	323.446	4.948	50	20	DJGD	
Cc1ccc(CN(C)C(=O)CCCC[C@@H]2CCSS2)cc1	302709601	NHFVJRIUDWLQIJ-MRXNPFEDSA-N	323.527	4.668	50	20	DJGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)ccc1Cl	588409935	NSNGXKXCZBIOGV-MHWRWJLKSA-N	324.811	4.811	50	20	DJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2cccnc2Cl)s1	797407408	TWYRADWIKVZLJR-XFFZJAGNSA-N	303.818	4.553	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)Cc1coc2ccccc12	812766685	VDCHBYIWTWRBHU-UHFFFAOYSA-N	322.408	4.550	50	20	DJGD	
CCc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)cc1	16441511	ZXBUQCQWUDFKTB-LFIBNONCSA-N	300.361	4.520	50	20	DJGD	
Cc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)s1	59133179	YRBASMFTNMHJFL-WQLSENKSSA-N	316.813	4.564	50	20	DJGD	
Cc1ccc(-c2ncc(/C=C(\C#N)c3ccccn3)s2)cc1	172043407	QXGVUGOHVNXLPT-XNTDXEJSSA-N	303.390	4.578	50	20	DJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2sccc2C)c1C	212096835	IGNQLAIFUSVAGG-GDNBJRDFSA-N	312.438	4.675	50	20	DJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(C)c(F)c2)c1C	731495952	UIXKNFOSGAYQIQ-LICLKQGHSA-N	322.383	4.528	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(Br)cc1F	794875724	XZHCELBXUVLLOL-XFFZJAGNSA-N	324.193	4.500	50	20	DJGD	
Cc1cccc(NNC(=O)c2ccc3c(c2)oc2ccccc23)c1	1326661799	XEMOJWSIDUYCHX-UHFFFAOYSA-N	316.360	4.651	50	20	DJGD	
O=C(O)c1ccc2nc(/C=C/c3cccc(CCl)c3)ccc2c1	1777683522	PXMGZHCYQSOHGY-QPJJXVBHSA-N	323.779	4.842	50	20	DJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1ccc(F)cc1F	211662652	IZOYYDSEBQDPQN-JYRVWZFOSA-N	322.314	4.544	50	20	DJGD	
CSc1cc(/C(C#N)=C\c2cccc(Cl)c2Cl)ncn1	773177235	UTCQNRZNMGBODR-YHYXMXQVSA-N	322.220	4.569	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cc(Cl)cs2)c1C	780004117	FBDGQSVMAUHAFJ-WUXMJOGZSA-N	301.798	4.808	50	20	DJGD	
CCCN(N=Cc1ccccc1C1CC1)C(=O)OC(C)(C)C	794996218	BFTHPVIITIISKW-UHFFFAOYSA-N	302.418	4.545	50	20	DJGD	
CC(C)Sc1ccc(C(=O)NNc2ccc(Cl)cc2)cc1	120188931	MQTTXAVMVQUNIW-UHFFFAOYSA-N	320.845	4.597	50	20	DJGD	
COCCCC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	180333590	ONMINBGGBZXHGK-UHFFFAOYSA-N	319.295	4.709	50	20	DJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)cc1	726428194	GXRJSRDJEJRKPO-UEIJICEPSA-N	319.404	4.788	50	20	DJGD	
Cc1ccc(-c2csc(/C(C#N)=C/c3cccnc3C)n2)cc1	728786448	XRSCERKCRFFIIX-LICLKQGHSA-N	317.417	4.886	50	20	DJGD	
N#C/C(=C\c1ccc(F)c(C(F)(F)F)c1)C(=O)c1ccccc1	755405018	WIMWFCJBQMJQGN-MDWZMJQESA-N	319.257	4.634	50	20	DJGD	
N#C/C(=C\c1cc(Cl)cs1)C(=O)Nc1ccc(Cl)cc1	779221445	VSBCRLAMAGXPAT-WEVVVXLNSA-N	323.204	4.601	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)Nc1ccc2[nH]ccc2c1	812932321	RRIXJEFWKXVRJE-UHFFFAOYSA-N	322.412	4.748	50	20	DJGD	
CC(C)c1ccc(/C=C(\C#N)C(=O)N(C)C2CCCCC2)cc1	903254151	QCSWWGIEEJETKQ-QGOAFFKASA-N	310.441	4.508	50	20	DJGD	
Cc1csc(/C(C#N)=C/c2ccc(Oc3ccccc3)o2)n1	182206925	LJZNQQKAAUHJAB-UKTHLTGXSA-N	308.362	4.901	50	20	DJGD	
CCCCCCC(C)=NNC(=O)c1cc2ccccc2cc1O	252462510	SWTBKBMGWJGCJB-UHFFFAOYSA-N	312.413	4.622	50	20	DJGD	
N#C/C(=C/c1cccc(-c2ccccn2)c1)C(=O)c1ccccc1	747689987	CFRMHWUSVDCSOR-RGEXLXHISA-N	310.356	4.538	50	20	DJGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1cc(F)cc(C(F)(F)F)c1	772796263	GKKIFRNXUBSVNR-WCIBSUBMSA-N	313.294	4.757	50	20	DJGD	
O=C(NN=C1CCC2(CCCC2)CC1)c1cccc(Cl)c1	811632377	MSFZHBALKYSYHY-UHFFFAOYSA-N	304.821	4.560	50	20	DJGD	
CC(=C\c1ccccc1OC(F)F)/C=C(/C#N)c1ccccn1	811685528	VIIMKYNASDEKSV-RJSPBKBSSA-N	312.319	4.693	50	20	DJGD	
C=CCNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184432491	BTEKHRDIISLROR-UHFFFAOYSA-N	302.268	4.652	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C\c3cccc(OC(C)C)c3)[nH]c12	735618940	HLSTTXFOUBGACL-YBEGLDIGSA-N	317.392	4.723	50	20	DJGD	
Cc1cccc(C)c1/C=C(/C#N)C(=O)Nc1ccccc1Cl	755572745	PPFPWGMKLAQFDN-UVTDQMKNSA-N	310.784	4.503	50	20	DJGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1cnc(C2CCCC2)s1	767713508	KEFXTSLSZNOHPL-JYRVWZFOSA-N	302.443	4.713	50	20	DJGD	
CCSc1cccc(/C=C(/C#N)C(=O)c2cccc(OC)c2)c1	769724359	HHNWSMTVSRNKTG-YBEGLDIGSA-N	323.417	4.597	50	20	DJGD	
N#C/C(=C\c1cnc(-c2ccc(Cl)cc2)s1)c1ccccn1	789127719	OOFCLHUQPSZOQU-UKTHLTGXSA-N	323.808	4.923	50	20	DJGD	
C[C@H](C(=O)NN(c1ccccc1)c1ccccc1)c1cccs1	737466705	YFIKFPQIFCSNCF-HNNXBMFYSA-N	322.433	4.721	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(-c2ccccc2F)o1	741470910	XAGVGOYJKQSCLX-UQRISPGASA-N	311.356	4.998	50	20	DJGD	
O=C(NN=Cc1ccc(C(F)F)cc1)c1ccc2ccccc2c1	794496728	NCTYPWIYCGLDHU-UHFFFAOYSA-N	324.330	4.541	50	20	DJGD	
N#C/C(=C/c1ccc(C(F)F)cc1)C(=O)c1cccc(F)c1	794875997	ZQBXNDFKAKVEFD-ZSOIEALJSA-N	301.267	4.553	50	20	DJGD	
C#CCCCCC(=O)Nc1c(CC)cc(SC#N)cc1CC	120529987	NJXQVMGAGFCVER-UHFFFAOYSA-N	314.454	4.517	50	20	DJGD	
N#C/C(=C/c1c(Cl)ccc(Cl)c1Cl)c1ccncn1	758916259	QJAIDERPNLXYOD-YVMONPNESA-N	310.571	4.501	50	20	DJGD	
CC(C)C(=O)/C(C#N)=C/c1cccc(OCc2ccc(F)cc2)c1	766672711	TURQKYLZTUALHK-LICLKQGHSA-N	323.367	4.537	50	20	DJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2cc(F)c(F)cc2F)c1	767712795	ICIYHEIRJXWYBP-MKMNVTDBSA-N	315.294	4.511	50	20	DJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccc(Cl)cc2F)cc1F	773148053	ANKIQWSOWKBAMX-WUXMJOGZSA-N	317.722	4.717	50	20	DJGD	
COc1ccc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)s1	797400031	ZKJJROVSSFKQHP-YFHOEESVSA-N	304.440	4.575	50	20	DJGD	
CC(C)c1ccc(NNC(=O)c2ccsc2C(F)F)cc1	821938688	FBLVXUSTQZQYQP-UHFFFAOYSA-N	310.369	4.566	50	20	DJGD	
C[C@H]1C[C@H](NCc2cccc(S(F)(F)(F)(F)F)c2)CO1	842712640	SIESVLWMECLZSR-ONGXEEELSA-N	317.323	4.611	50	20	DJGD	
FC(F)(F)[C@@H](Cl)Sc1ccccc1NCc1ccon1	873082556	GIFAPUKTJUSMDQ-NSHDSACASA-N	322.739	4.506	50	20	DJGD	
N#C/C(=C\c1cc(Cl)cc(Cl)c1)c1nc2ccccc2[nH]1	917517303	NMJYMOPBJHLXEA-VZUCSPMQSA-N	314.175	4.934	50	20	DJGD	
N#C/C(=C\c1c(OC(F)F)ccc2ccccc12)c1ccccn1	7155321	SHFFSOYNCFUFEV-SDNWHVSQSA-N	322.314	4.900	50	20	DJGD	
N#C/C(=C\c1cc2ccccc2s1)C(=O)c1ccc(F)cc1	758416835	FQFOCRDSAZLVGK-GXDHUFHOSA-N	307.349	4.830	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(OC(C)C)cc2)cc1	764917478	VGNHQRSGVWZPBT-LDADJPATSA-N	305.377	4.572	50	20	DJGD	
N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)c1cccc(F)c1	772171136	DHPRMHQBHJJOLG-NTUHNPAUSA-N	319.257	4.634	50	20	DJGD	
COc1cccc(C(=O)/C(C#N)=C/c2csc3ccccc23)c1	810206212	FLSPKWFSUTVDTH-NTEUORMPSA-N	319.385	4.700	50	20	DJGD	
CCOc1ccc(NNC(=O)CC(C)(C)C2CCCCC2)cc1	857512533	OTBCGROEBKYOPD-UHFFFAOYSA-N	318.461	4.525	50	20	DJGD	
CCC(CC)CN(CC)C(=O)CCCC[C@H]1CCSS1	915632848	FUHORJMHGWGNMJ-HNNXBMFYSA-N	317.564	4.985	50	20	DJGD	
Cc1ccc(/C=C(/C#N)c2nc3cc(F)ccc3s2)s1	730150450	JNKVBKCYEMNYBK-POHAHGRESA-N	300.383	4.870	50	20	DJGD	
N#C/C(=C/c1ccc(F)cc1F)C(=O)c1ccc(F)c(Cl)c1	773144802	MSSNPFMVXRKEDZ-WZUFQYTHSA-N	321.685	4.547	50	20	DJGD	
N#C/C(=C\c1cccs1)C(=O)c1cc(Cl)cc(Cl)c1	921138328	FCUUZPZGERGKPV-UXBLZVDNSA-N	308.189	4.845	50	20	DJGD	
N#C/C(=C\c1ccc2ccccc2c1)C(=O)c1ccc(F)cc1	8202686	GPYBOMIXDMFJDM-LDADJPATSA-N	301.320	4.769	50	20	DJGD	
N#C/C(=C\c1cccc(Cl)c1)C(=O)c1cccc(Cl)c1	25889128	FKVYSKKBFIZQGF-NTUHNPAUSA-N	302.160	4.783	50	20	DJGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc2ccccc2s1	176950324	WBSDTROPQRRUFO-PTNGSMBKSA-N	318.401	4.755	50	20	DJGD	
O=C(CCCCCc1cccs1)NNc1ccc(Cl)cc1	749276198	JXNRYFNJDXKXJD-UHFFFAOYSA-N	322.861	4.648	50	20	DJGD	
N#C/C(=C\c1ccccc1OC1CCCC1)C(=O)C1CCCC1	781555917	RWOFELJKLUHEER-GHRIWEEISA-N	309.409	4.674	50	20	DJGD	
Cc1cc(F)ccc1/C=C(\C#N)c1ncc(C(C)(C)C)s1	797398336	GSQBDYHOVQFXKY-MDWZMJQESA-N	300.402	4.952	50	20	DJGD	
CCc1noc(/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)n1	841731860	GVTKDPIHTIDDNH-WJDWOHSUSA-N	324.428	4.620	50	20	DJGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)s2)cc1	5877568	DFSYCZSGDUMJRU-FMIVXFBMSA-N	316.813	4.510	50	20	DJGD	
Cc1ccc(-c2nc(/C=C(/C#N)C(=O)c3ccsc3)co2)cc1	254998093	BOTKSCSMBGKQNM-NVNXTCNLSA-N	320.373	4.501	50	20	DJGD	
CCCCCC[C@@H]1CCCC1=NNC(=O)c1ccccc1OC	731486973	HXNJEPYXECBMDF-OAHLLOKOSA-N	316.445	4.552	50	20	DJGD	
C[C@H](NC(=O)CCCC[C@H]1CCSS1)C1CCCCC1	741707484	GROGKOYAFBCCEZ-ZFWWWQNUSA-N	315.548	4.786	50	20	DJGD	
N#C/C(=C/c1c(Cl)oc2ccccc12)C(=O)Nc1ccccc1	761176936	PQLVLBFNDNMSRQ-BENRWUELSA-N	322.751	4.632	50	20	DJGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C/c2ccc(F)cc2)cc1	915862754	VLWZIEHVDNOKHV-FOWTUZBSSA-N	307.368	4.913	50	20	DJGD	
CCSc1cccc(/C=C(\C#N)c2nc3ccccc3n2C)c1	184543911	GRBFUEJATXBNNY-RVDMUPIBSA-N	319.433	4.749	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C/C=C1\N(C)c2ccccc2C1(C)C	726184816	XTMKZHOYLPJXDG-UBSBAQTRSA-N	322.452	4.753	50	20	DJGD	
N#C/C(=C\c1nccc2ccccc12)C(=O)c1cccc(Cl)c1	740764930	KPVCOVDWAILLPS-RVDMUPIBSA-N	318.763	4.678	50	20	DJGD	
CCCCCC(CCCCC)=NNC(=O)c1ccc(O)cc1	743420749	OQWRJYYSADKWDP-UHFFFAOYSA-N	304.434	4.639	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(Cl)cc2F)s1	782197715	WQESAYBSSQWGQE-WDZFZDKYSA-N	305.761	4.639	50	20	DJGD	
Cc1cc(/C=C(\C#N)C(=O)c2ccc(Cl)s2)ccc1F	783686831	ALQCXQRGCVZLSG-YRNVUSSQSA-N	305.761	4.639	50	20	DJGD	
CC(C)(C)c1cnc(/C(C#N)=C/C2=Cc3ccccc3OC2)s1	797407895	ZEBOEMMUABSZPU-OQLLNIDSSA-N	322.433	4.824	50	20	DJGD	
CC(/C=C(/C#N)C(=O)Nc1ccc(C)cc1C)=C\c1ccccc1	211535907	RGOUCKOZEBEPRH-UBSBAQTRSA-N	316.404	4.795	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(F)cc1C(F)(F)F	794876022	ABZQOWVMCYSUJS-XFFZJAGNSA-N	313.294	4.757	50	20	DJGD	
CCc1ccccc1CNCc1ccc(OCCCCl)cc1	811481791	MVERPPLMRRAXMI-UHFFFAOYSA-N	317.860	4.547	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cccc(OC(C)C)c2)s1	170933462	YZIJRMJRFRUJHA-OQLLNIDSSA-N	311.406	4.634	50	20	DJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)cc1	726428195	GXRJSRDJEJRKPO-YZYPPFLQSA-N	319.404	4.788	50	20	DJGD	
COc1cc(/C=C(\C#N)c2nc(C)c(C)s2)ccc1SC	741475099	VFKGFBFRFWIBBY-NTUHNPAUSA-N	316.451	4.555	50	20	DJGD	
O=C(CCCC[C@@H]1CCSS1)N[C@@H]1CC12CCCCC2	770869285	NTAVABJIXJQTTF-ZIAGYGMSSA-N	313.532	4.540	50	20	DJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2ccc3cnccc3c2)c1	780005663	WBHMVHIRSOKVMR-RGVLZGJSSA-N	312.372	4.642	50	20	DJGD	
N#C/C(=C\c1cc2cc(F)ccc2o1)c1cnc2ccccc2n1	790230536	DRZYYSKBKJZQKU-UKTHLTGXSA-N	315.307	4.579	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cc(F)ccc1Br	794875487	WPSALLKGYIRMKA-XFFZJAGNSA-N	324.193	4.500	50	20	DJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cccc(OC(C)C)c2)c1	921270799	ZGGYOVOETNKENM-ODLFYWEKSA-N	319.404	4.881	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cnc(-c2ccccc2)s1	125525257	VENQAGIWORVTEQ-NWFCWYBLSA-N	310.422	4.722	50	20	DJGD	
CC[C@H](CC(=O)NNc1c(C)cc(C)cc1C)c1ccccc1	743764901	XADNFVOUPVUQSH-QGZVFWFLSA-N	310.441	4.639	50	20	DJGD	
O=C(NNc1ccccc1)Nc1ccc2oc3ccccc3c2c1	769923188	STKCLKSHTVJTLN-UHFFFAOYSA-N	317.348	4.735	50	20	DJGD	
N#C/C(=C\c1cccc(Cl)c1Cl)C(=O)c1cccc(F)c1	772172209	PNCUUAPWYOEHNE-KPKJPENVSA-N	320.150	4.922	50	20	DJGD	
C[C@@H](Sc1ccccc1)c1ccc(NC=C(C#N)C#N)cc1	752230443	QOSUJGIKCXFKJA-CQSZACIVSA-N	305.406	4.883	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C/c3cnc(C4CCC4)s3)[nH]c12	760209921	JJVLLYAPLODLCX-MDWZMJQESA-N	320.421	4.660	50	20	DJGD	
Cc1cc(/C=C(\C#N)C(=O)c2sccc2C)ccc1Cl	779704597	SKRRKGJGJAWCNP-MDWZMJQESA-N	301.798	4.808	50	20	DJGD	
N#C/C(=C/c1cc2ccccc2o1)C(=O)c1ccc(Cl)s1	783686946	BZHUDJFNBRGZOV-FLIBITNWSA-N	313.765	4.938	50	20	DJGD	
CCc1noc(/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)n1	841731856	GVTKDPIHTIDDNH-LFIBNONCSA-N	324.428	4.620	50	20	DJGD	
Cc1ccc(NNC(=O)c2cc3c(Cl)cccc3s2)cc1	912596163	BEYHYQFZRKERSR-UHFFFAOYSA-N	316.813	4.620	50	20	DJGD	
CC[C@@H](NCc1cccc(S(F)(F)(F)(F)F)c1)[C@@H](C)O	922157204	AQVQMHRDJULIFO-BXKDBHETSA-N	319.339	4.593	50	20	DJGD	
N#C/C(=C\c1cnc(-c2ccccc2)s1)C(=O)C1CCCCC1	130194094	IRLRHDNGOSGWBB-LFIBNONCSA-N	322.433	4.866	50	20	DJGD	
COc1ccc(/C=C(/C#N)c2nc(C)cs2)c2ccccc12	588616470	HYUTXIVRSXVYAL-ZROIWOOFSA-N	306.390	4.678	50	20	DJGD	
CCn1c(C)cc(/C=C(/C#N)C(=O)c2cccc(Cl)c2)c1C	728286842	JBOPSZINESZYPK-SXGWCWSVSA-N	312.800	4.568	50	20	DJGD	
Cc1cc(/C=C(/C#N)C(=O)CC(C)C)ccc1Oc1cccnc1	732713798	HICOBWXXWQFAGC-BOPFTXTBSA-N	320.392	4.705	50	20	DJGD	
Cc1occc1C(=O)/C(C#N)=C/c1cc(Cl)ccc1Cl	753682183	DXBZRUZMVCQRBO-IZZDOVSWSA-N	306.148	4.685	50	20	DJGD	
CCc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)o1	760211768	PZWRGLSRLMAUIO-NTCAYCPXSA-N	316.360	4.541	50	20	DJGD	
C[C@@H]1CCC[C@@H](C=NNC(=O)c2c(Cl)cccc2Cl)C1	768363825	DHXXBCJDLXAKRM-GHMZBOCLSA-N	313.228	4.535	50	20	DJGD	
CCCN(N=C/C=C/c1ccc(F)cc1F)C(=O)OC(C)(C)C	794996581	JDEVNZLJRPXZSO-BBNVZJRASA-N	324.371	4.611	50	20	DJGD	
Cc1cc2nc(/C=C/c3cnn(CCCl)c3)sc2cc1C	60376217	SZRGLGKACAPWMO-ONEGZZNKSA-N	317.845	4.519	50	20	DJGD	
C/C(=C\c1ccccc1Cl)C(=O)NNc1cc(C)cc(C)c1	756012547	OUARICQWAPUMDL-SDNWHVSQSA-N	314.816	4.503	50	20	DJGD	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1Cl	766289764	RRYDDCBDUJIJTR-OQLLNIDSSA-N	310.784	4.503	50	20	DJGD	
N#C/C(=C/c1cscc1Cl)C(=O)Nc1ccccc1Cl	771843058	XNOYVUJXGHHLIM-UITAMQMPSA-N	323.204	4.601	50	20	DJGD	
N#C/C(=C/c1ccc(F)cc1C(F)(F)F)C(=O)C1CCCC1	781554928	BDIOCAHISUZKSB-GHXNOFRVSA-N	311.278	4.511	50	20	DJGD	
Cc1ccccc1C(=O)/C(C#N)=C/C=C\c1ccc(F)cc1F	1342420211	AMDCSTOAXZQSCR-QUGKNYOSSA-N	309.315	4.619	50	20	DJGD	
N#C/C(=C/c1ccccc1)C(=O)c1c[nH]c2cc(Cl)ccc12	44027375	JGAQQCQFPJZAJY-JYRVWZFOSA-N	306.752	4.611	50	20	DJGD	
Cc1ccc(/C=C(\C#N)c2nc3cc(F)ccc3s2)s1	730150451	JNKVBKCYEMNYBK-UXBLZVDNSA-N	300.383	4.870	50	20	DJGD	
N#C/C(=C\c1c(F)cccc1F)C(=O)c1ccc(F)c(Cl)c1	773154923	OLXAYGSNPTWKLM-UXBLZVDNSA-N	321.685	4.547	50	20	DJGD	
CC(C)c1ccc(NNC(=O)c2ccc(C(C)(F)F)cc2)cc1	837053152	LNEJGXPKWDVPLG-UHFFFAOYSA-N	318.367	4.679	50	20	DJGD	
CCN(CC#N)Cc1cccc(S(F)(F)(F)(F)F)c1	891777919	JPAVKVBUTQDSOH-UHFFFAOYSA-N	300.296	4.689	50	20	DJGD	
CCC[C@@H](C=NNC(=O)c1ccccc1Cl)c1ccccc1	1320507734	UOGDVILDKAAQEK-HNNXBMFYSA-N	314.816	4.640	50	20	DJGD	
CCCCc1ccc(NC(=O)/C(C#N)=C\c2cccs2)cc1	6854064	DIPQCPNIXFKSTJ-QINSGFPZSA-N	310.422	4.636	50	20	DJGD	
Cc1cc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)c(C)n1C1CC1	11297587	SYLWUDKVZCEGCQ-CXUHLZMHSA-N	324.811	4.883	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C/c2cc(F)c(F)cc2F)n1	128802305	PHBYPKNUHHHPCD-XCVCLJGOSA-N	308.328	4.748	50	20	DJGD	
COc1cc(-c2ccccc2)ccc1/C=C(\C#N)c1ccccn1	180202821	XKMPPAXCKQJSGZ-CPNJWEJPSA-N	312.372	4.821	50	20	DJGD	
Cc1cccc(NNC(=O)[C@H](C)c2ccc(Cl)c(Cl)c2)c1	746681995	PFYDFKJNIBLDSL-LLVKDONJSA-N	323.223	4.549	50	20	DJGD	
CC[C@H](C)CN(CC)C(=O)CCCC[C@H]1CCSS1	748437088	XMKNDORNUJXFMH-KBPBESRZSA-N	303.537	4.595	50	20	DJGD	
N#C/C(=C\c1cc(F)ccc1F)C(=O)c1ccc(F)c(Cl)c1	773160203	MDAQKPZZWIINFK-VZUCSPMQSA-N	321.685	4.547	50	20	DJGD	
N#C/C(=C\c1ccc2cnccc2c1)c1ccc2ccccc2n1	782330128	OYEPTTAKLHQOPF-XDHOZWIPSA-N	307.356	4.847	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H]1CC[C@@H](C)C1	776299992	SKQYVCZNNFALMJ-IUODEOHRSA-N	316.470	4.759	50	20	DJGD	
Cc1nc(/C(C#N)=C/c2cnc(-c3ccco3)s2)sc1C	789141308	CPXGUGDYZZXEAB-IZZDOVSWSA-N	313.407	4.541	50	20	DJGD	
CCc1ccc(/C=C(\C#N)C(=O)c2ccc3ncccc3c2)cc1	794884108	GGHJOLJIAKFBSU-XDHOZWIPSA-N	312.372	4.587	50	20	DJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1cnc(C(C)(C)C)s1	1321969195	RGCQTANOQAYBJK-LCYFTJDESA-N	310.422	4.539	50	20	DJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc3ccccc3o2)c(C)c1	11289245	PFWUPCZMDZOCGT-LFIBNONCSA-N	316.360	4.595	50	20	DJGD	
C[C@@H](NC(=O)CCCC[C@@H]1CCSS1)c1ccccc1	78467434	DMRLWLRNXWRNII-UKRRQHHQSA-N	309.500	4.578	50	20	DJGD	
CCc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)cc1	207894604	ZXBUQCQWUDFKTB-WJDWOHSUSA-N	300.361	4.520	50	20	DJGD	
Cc1csc(/C(C#N)=C\c2ccc(-c3ccc(F)cc3)o2)n1	255065483	YBSMOPSNGPGTLD-JYRVWZFOSA-N	310.353	4.915	50	20	DJGD	
Cc1cccc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)c1C	731155138	AKLFQYMFUMPXRO-YBEGLDIGSA-N	300.361	4.575	50	20	DJGD	
Cc1ccc(/C=C(/C#N)c2nc3cc(F)ccc3s2)cc1F	731489759	LQEQHMPYQMZYIP-SDQBBNPISA-N	312.344	4.947	50	20	DJGD	
CC(C)C(=NNC(=O)c1cccc2ncccc12)C1CCCCC1	733901339	LEAYWWSUBMWKSI-UHFFFAOYSA-N	323.440	4.557	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(F)cc2Cl)s1	767712713	DQEDNROYXUHCEB-IZZDOVSWSA-N	305.761	4.639	50	20	DJGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1c(F)cccc1Br	794875661	UDQOASABMNMADA-YFHOEESVSA-N	324.193	4.500	50	20	DJGD	
N#C/C(=C/c1cscc1C(F)(F)F)C(=O)c1ccsc1	811627749	GHFYNFUFOLIAPJ-OQFOIZHKSA-N	313.325	4.618	50	20	DJGD	
Cc1c(C#N)cccc1NC(=O)CCCC[C@H]1CCSS1	178395029	SDSBTJGBQHHINC-AWEZNQCLSA-N	320.483	4.519	50	20	DJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2cccc(C(F)(F)F)c2)s1	780526848	IITHORXINWNWKY-XYOKQWHBSA-N	321.323	4.865	50	20	DJGD	
CC(C)c1ccc(NNC(=O)[C@@H](C)c2ccc(Cl)s2)cc1	837054384	PXKMFGKERWVQSZ-NSHDSACASA-N	322.861	4.772	50	20	DJGD	
C[C@@H](CCCO)NCc1cccc(S(F)(F)(F)(F)F)c1	840893178	KQJKRAHTQXXUGF-JTQLQIEISA-N	319.339	4.595	50	20	DJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2cccc(C)c2)c1C	915860442	YRFKKEIDYBURMP-PDGQHHTCSA-N	306.409	4.613	50	20	DJGD	
N#C/C(=C\c1csc(Cl)c1Cl)C(=O)Nc1ccccc1	761394877	XARFWUYWGIUKMD-RMKNXTFCSA-N	323.204	4.601	50	20	DJGD	
CCn1nc(/C=C(\C#N)c2ccc3ccccc3n2)c2ccccc21	769741827	FPHQLWNLKCURSO-DTQAZKPQSA-N	324.387	4.669	50	20	DJGD	
Cc1cc(/C(C#N)=C\c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-]	774557937	GUKKVFYNUCHOIW-QPEQYQDCSA-N	316.719	4.760	50	20	DJGD	
CN(C(=O)CCCC[C@@H]1CCSS1)[C@@H]1CCC(C)(C)C1	794268649	BDUBJTCRCYHMBP-ZIAGYGMSSA-N	315.548	4.738	50	20	DJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)c(C)c1	5698164	HGTMEXOBVQTEPC-XDHOZWIPSA-N	318.420	4.973	50	20	DJGD	
CCCC[C@H]1CCCC1=NNC(=O)c1cc(C)nc2ccccc12	727254054	MWTTUTITIMYNQS-HNNXBMFYSA-N	323.440	4.619	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cc(C)c(C)cc1OC(F)F	742434647	MBONSUGABLTCPP-BTAWCLGRSA-N	321.367	4.817	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C/c2coc(-c3ccccc3)n2)n1	749893436	IDFIYPMVYPASMJ-RIYZIHGNSA-N	321.405	4.986	50	20	DJGD	
CCOc1c(Cl)cccc1/C=C(/C#N)C(=O)c1ccsc1	780004686	OVABVUZOVSQZHD-JYRVWZFOSA-N	317.797	4.590	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(Cl)ccc1F	812763468	SPWJTDVVBDUHDW-UHFFFAOYSA-N	320.795	4.668	50	20	DJGD	
CCc1oc2ccccc2c1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1	7766569	OMTXIEYWLVNOMA-SDNWHVSQSA-N	318.332	4.968	50	20	DJGD	
Cc1ccccc1/C=C(\C#N)C(=O)c1c[nH]c2cc(Cl)ccc12	59270117	FEDUJFZDFQWHLN-RIYZIHGNSA-N	320.779	4.920	50	20	DJGD	
N#C/C(=C/c1cccc(F)c1)c1nc2ccccc2n1C(F)F	193315604	YODPRWBNVFYPRI-WQLSENKSSA-N	313.282	4.635	50	20	DJGD	
Cc1cc(C)c(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)c(C)c1	211836778	ZPDGADORFPFACB-WQRHYEAKSA-N	318.420	4.774	50	20	DJGD	
N#C/C(=C\c1cnc(-c2ccccc2)s1)C(=O)c1ccccc1	727263860	HUFYAZOFKSBHIH-LFIBNONCSA-N	316.385	4.600	50	20	DJGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1ccc(Cl)cc1)c1ccccc1	787144765	MVJUSRPNQHIAEU-FXFXYLOPSA-N	324.811	4.514	50	20	DJGD	
C=C(CBr)CN[C@H](C)c1ccc(F)c2ccccc12	808769534	ZDEIINVHAGYSEL-GFCCVEGCSA-N	322.221	4.581	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C\c2ccc(OC(F)F)cc2)n1	83015507	WBUHSVVHVLBNPB-GHXNOFRVSA-N	320.364	4.932	50	20	DJGD	
CN1CCC(Nc2cccc(S(F)(F)(F)(F)F)c2)CC1	184034510	QYAQOXBYNQZRCT-UHFFFAOYSA-N	316.339	4.850	50	20	DJGD	
CCCC[C@H]1CCCC1=NNC(=O)c1cccc2ccccc12	741465471	LZTIKGYXEOMNGN-INIZCTEOSA-N	308.425	4.916	50	20	DJGD	
Cc1ccoc1/C=C(/C#N)C(=O)c1c[nH]c2cc(Cl)ccc12	742349939	XAXJJFHVIAZYNJ-WDZFZDKYSA-N	310.740	4.513	50	20	DJGD	
Cc1cc(C)c(NNC(=O)[C@H](C)c2cccc(Cl)c2)c(C)c1	743764508	PIYNELBFIFPNRS-CQSZACIVSA-N	316.832	4.512	50	20	DJGD	
CC(C)Cc1ccc([C@@H](NC=C(C#N)C#N)c2cccs2)cc1	747841235	WXXWWXUVEMUXOH-LJQANCHMSA-N	321.449	4.557	50	20	DJGD	
CCCCCOc1ccc(/C=C(/C#N)C(=O)c2ccoc2)cc1	798230314	PDKOQHFLRIJYDE-ATVHPVEESA-N	309.365	4.638	50	20	DJGD	
Cc1ccc(-c2csc(/C(C#N)=C\c3c(C)n[nH]c3C)n2)cc1	915988040	NUOIXJAYZCUTOV-NVNXTCNLSA-N	320.421	4.523	50	20	DJGD	
CCCCOc1ccc(/C=C(/C#N)C(=O)c2ccccc2F)cc1	212674351	ZSPNEGQYFQHYLB-SSZFMOIBSA-N	323.367	4.794	50	20	DJGD	
Cc1nc(/C(C#N)=C\c2cccc(-c3ccccn3)c2)sc1C	747693039	LDMDRCMLBDJWNU-BOPFTXTBSA-N	317.417	4.886	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cnc(C3CCC3)s2)c1C	760212232	VSIIRXRPOBBTRN-DHDCSXOGSA-N	322.433	4.817	50	20	DJGD	
N#C/C(=C\c1cc2ccccc2o1)c1cc(C(F)(F)F)ccn1	812246188	FVYFJTSISJAUEY-XYOKQWHBSA-N	314.266	4.911	50	20	DJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cc(C(F)(F)F)ccc1Cl	753682132	CZTNPQHZUHBZBU-CAXXOGMASA-N	315.722	4.881	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)Nc1cccc2cc[nH]c12	812963828	BIZAQMHEYUJNJJ-UHFFFAOYSA-N	322.412	4.748	50	20	DJGD	
O=C(NN=C1CCCC12CCCC2)c1cccc2ccccc12	814855337	JXMFKZFVEHVDSW-UHFFFAOYSA-N	306.409	4.670	50	20	DJGD	
N#C/C(=C\c1cccc(F)c1F)C(=O)c1cc2ccccc2o1	170963962	OKZXHVRKWFJECV-MDWZMJQESA-N	309.271	4.501	50	20	DJGD	
COc1ccc(/C=C(\C#N)c2ccc3ccccc3n2)cc1Cl	741466831	AGVVWNBDTTYURQ-XNTDXEJSSA-N	320.779	4.961	50	20	DJGD	
CCC(CC)(CC)NC(=O)CCCC[C@@H]1CCSS1	741713730	HQFBYKNJSXBICK-CYBMUJFWSA-N	303.537	4.786	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C\c1cccc(-c2ccccn2)c1	747690995	SHOAXTRZJBELSK-AQTBWJFISA-N	304.393	4.661	50	20	DJGD	
CC[C@@H](C)c1ccc([C@@H](NC=C(C#N)C#N)c2cccs2)cc1	747841101	PCHVOZFGHQRARZ-AUUYWEPGSA-N	321.449	4.872	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(C(F)F)cc2)s1	794874892	KPMZVHILXJBNHE-JYRVWZFOSA-N	303.333	4.784	50	20	DJGD	
CCCOc1cccc(/C=C(/C#N)c2nc(C3CC3)cs2)c1	843266529	WZEBDEPAISAPKI-DHDCSXOGSA-N	310.422	4.873	50	20	DJGD	
C[C@@H]1CCC[C@@H](CNC(=O)CCCC[C@H]2CCSS2)C1	919829707	UBCLPQGYJOPNDA-KFWWJZLASA-N	315.548	4.643	50	20	DJGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)c1cc(Cl)cc(Cl)c1	921138584	SHOQHYGEBVHZGA-XGICHPGQSA-N	320.150	4.922	50	20	DJGD	
N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1	1090775	JEQOSZQTIKTMTO-XYOKQWHBSA-N	317.175	4.539	50	20	DJGD	
CCOC(=O)/C(C#N)=C\c1ccc(-c2ccccc2Cl)s1	210331710	GBXNVSFOMVBXRQ-LUAWRHEFSA-N	317.797	4.539	50	20	DJGD	
CCCCCC(C)=NNC(=O)c1c(Cl)cccc1Cl	727778996	LGOBROISOZAJHC-UHFFFAOYSA-N	301.217	4.679	50	20	DJGD	
CCCCC1CCC(C(=O)/C(C#N)=C/c2c(C)noc2C)CC1	741469772	MUKOTPXGVBVHJR-GZTJUZNOSA-N	314.429	4.764	50	20	DJGD	
Cc1cc2cc(/C=C(/C#N)C(=O)c3ccoc3C)oc2cc1C	749808667	YCMNTUFKQOIIKQ-DHDCSXOGSA-N	305.333	4.741	50	20	DJGD	
CC(C)c1ncc(/C=C(\C#N)c2ccc3ccccc3n2)s1	758431877	YDCPBCLZAVYOBA-NTEUORMPSA-N	305.406	4.879	50	20	DJGD	
N#C/C(=C/c1cscc1Cl)c1nc(-c2ccccc2)no1	771837438	JRYZJXXRPNGRLC-WDZFZDKYSA-N	313.769	4.516	50	20	DJGD	
O=C(C#CC1CC1)Nc1cccc(S(F)(F)(F)(F)F)c1	837533124	QRCYJAADPLGHKB-UHFFFAOYSA-N	311.275	4.696	50	20	DJGD	
O=C(CCCC[C@@H]1CCSS1)N1CC[C@@H]1c1ccccc1	917140283	IBXUAHABHUKVJF-HZPDHXFCSA-N	321.511	4.674	50	20	DJGD	
O=C(CC1CC1)Nc1ccccc1S[C@H](Cl)C(F)(F)F	918558855	JEUIWSKMVPTOKV-LBPRGKRZSA-N	323.767	4.645	50	20	DJGD	
Cc1csc(/C(C#N)=C\c2cc(C)c(OC(F)F)c(C)c2)n1	193772779	RDEPXCHJTKBGEF-MLPAPPSSSA-N	320.364	4.734	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1ccc(OCC2CC2)cc1	790099112	DGLKDRVWFRTNTF-MHWRWJLKSA-N	323.417	4.635	50	20	DJGD	
COCc1csc(/C=C(/C#N)c2nc(C(C)C)cs2)c1	849180194	ZBJHEUOHKYKPGO-XGICHPGQSA-N	304.440	4.539	50	20	DJGD	
CCCOc1cccc(/C=C(/C#N)C(=O)c2ccccc2C)c1	1317886062	ZSTUHXVSSJQREZ-ATVHPVEESA-N	305.377	4.574	50	20	DJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(Cl)c(C(F)(F)F)c1	727266908	JMVOBMGMSFODJA-VKRGWIQLSA-N	315.722	4.881	50	20	DJGD	
CC(C)(C)c1ccc(/C=C(\C#N)C(=O)c2ccc(F)cc2)cc1	730590222	XAMMHLYZOSLQQE-FOWTUZBSSA-N	307.368	4.913	50	20	DJGD	
CCc1ccc(C(=O)NN=C(C(C)C)C2CCCCC2)cc1	733907825	VYWHHFHZFICWNO-UHFFFAOYSA-N	300.446	4.571	50	20	DJGD	
CCc1cc2c(O)nc(C(C)(C)CCCCCl)nc2s1	766289002	KBQJKSIXUIGMLL-UHFFFAOYSA-N	312.866	4.646	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(F)cc1C(F)(F)F	771859451	MUFLIBVPLIWOSH-QVIVLVACSA-N	313.294	4.757	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cccc(C)c1OC(F)F	777918973	OTIRKVRNDYGENJ-ZECSTPGPSA-N	307.340	4.509	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2nccc3ccccc23)cc1C	809145936	JZURJOHTNCCBOL-LDADJPATSA-N	312.372	4.642	50	20	DJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccccc1Cl	33981332	RCIDQJQNRYLVDB-LLVKDONJSA-N	315.891	4.993	50	20	DJGD	
Cn1c(/C(C#N)=C/c2cc3ccccc3s2)nc2ccccc21	123391142	YPEGJXINJZCICB-SDNWHVSQSA-N	315.401	4.852	50	20	DJGD	
CC#CCCCC(=O)Nc1c(CC)cc(SC#N)cc1CC	185149070	UIDVOLWCBIEWJK-UHFFFAOYSA-N	314.454	4.517	50	20	DJGD	
Cc1ccc(-c2csc(/C(C#N)=C\c3ccn(C)c3)n2)cc1	763277982	QZTZGKZQSDGXDG-SXGWCWSVSA-N	305.406	4.521	50	20	DJGD	
C/C(=C\c1cccc(CCl)c1)c1nc(O)c2ccsc2n1	799891206	AVTGCOANHADYHA-JXMROGBWSA-N	316.813	4.696	50	20	DJGD	
C[C@@H]1CCCC[C@@H]1CNC(=O)CCCC[C@H]1CCSS1	920297703	RMUBJOIKXZTSBT-KFWWJZLASA-N	315.548	4.643	50	20	DJGD	
COc1ccc(/C=C(\C#N)c2nc3cc(F)ccc3s2)s1	763114627	QSXPWMHYVLCDJV-RMKNXTFCSA-N	316.382	4.570	50	20	DJGD	
C[C@H](NC[C@@H](C)CBr)c1cccc2ccccc12	770665013	BDWBRBYRLRMMFW-STQMWFEESA-N	306.247	4.521	50	20	DJGD	
N#C/C(=C\c1cscc1Cl)C(=O)c1cccc(Cl)c1	771837124	GSYUJAXAJFNREF-ONNFQVAWSA-N	308.189	4.845	50	20	DJGD	
Cc1ccccc1COC(=O)CCCC[C@@H]1CCSS1	786590935	YRGHGGSVEDLJMR-OAHLLOKOSA-N	310.484	4.752	50	20	DJGD	
N#C/C(=C/c1ccc(OCC2CC2)cc1)c1nc(C2CC2)cs1	843264945	KWEBTNONJLJSJL-SXGWCWSVSA-N	322.433	4.873	50	20	DJGD	
CCc1ccc(/C=C(\C#N)c2nc(-c3ccncc3)cs2)cc1	141739438	PTOOVKBOTCJBOG-GZTJUZNOSA-N	317.417	4.832	50	20	DJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cc(Cl)cc(Cl)c1OC	726428227	HTRDQQNEXSSOMP-QQCYMQAYSA-N	312.196	4.524	50	20	DJGD	
CSc1ccc(/C=C(\C#N)C(=O)c2cccc(C)c2C)cc1	727654657	HPSRQOGVOLZCBG-LFIBNONCSA-N	307.418	4.815	50	20	DJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2cccc(C)c2C)c(C)c1	731155183	BSZXFPZATSBAJY-YBFXNURJSA-N	318.420	4.774	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cc(C)c(OC(F)F)c(C)c1	741468573	FNQOEFHGAPYVMU-PDICVPPASA-N	321.367	4.817	50	20	DJGD	
N#C/C(=C\c1ccccc1C1CC1)c1nc(-c2ccccc2)no1	750818086	PDUSWTOJCGADQY-SFQUDFHCSA-N	313.360	4.678	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(Cl)cs2)cc1C	809145841	HJYXBJIRBPLHDK-AWNIVKPZSA-N	301.798	4.808	50	20	DJGD	
N#C/C(=C/c1cccc(O)c1)c1ncc(C(F)(F)F)cc1Cl	810251129	PDEHOTGDENWUNS-WMZJFQQLSA-N	324.689	4.524	50	20	DJGD	
O=C(CCCC[C@@H]1CCSS1)NC1CCCCCCC1	302691922	UXVGYNQEWMXSCA-OAHLLOKOSA-N	315.548	4.930	50	20	DJGD	
CCn1c(C)cc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)c1C	728286840	JBOPSZINESZYPK-CXUHLZMHSA-N	312.800	4.568	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C/c3cc(F)cc(Cl)c3)[nH]c12	776720993	WBRRGCPVDWXCEO-LFYBBSHMSA-N	311.747	4.728	50	20	DJGD	
CCCOc1ccc(/C=C(\C#N)c2nc(C3CC3)cs2)cc1	843265605	OELKTGOKPJMEEN-XNTDXEJSSA-N	310.422	4.873	50	20	DJGD	
FC(F)(COCCCCCCBr)c1ccccc1	117763036	GIFRBSZGUWVTHT-UHFFFAOYSA-N	321.205	4.750	50	20	DJGD	
N#C/C(=C/c1ccccc1C#N)c1nc(-c2ccccc2)cs1	120919558	LFDZUZUVNLZTQL-YVLHZVERSA-N	313.385	4.746	50	20	DJGD	
N#C/C(=C/c1sccc1Cl)C(=O)Nc1ccccc1Cl	588600975	YKKYNQPUQCCGJX-CLFYSBASSA-N	323.204	4.601	50	20	DJGD	
COc1ccc(C)cc1/C=C(\C#N)c1nc2cc(F)ccc2s1	730149563	BQQFHTPNGYONLB-MDWZMJQESA-N	324.380	4.817	50	20	DJGD	
CCCN(N=Cc1ccc(C(F)F)cc1)C(=O)OC(C)(C)C	794998707	UNMHGUJASLSQII-UHFFFAOYSA-N	312.360	4.605	50	20	DJGD	
CCCCCNC(=O)/C(C#N)=C/c1cc(-c2ccccc2)cs1	917518570	DOSAIQOTHBSFLQ-LFIBNONCSA-N	324.449	4.628	50	20	DJGD	
Cc1ccsc1/C=C(\C#N)C(=O)c1ccc(Cl)cc1F	179606539	CKSUQZSLBNDAPP-UXBLZVDNSA-N	305.761	4.639	50	20	DJGD	
CCc1cccc(NC(=O)CCCC[C@@H]2CCSS2)c1	251991303	JCKLNJWTZCZHMA-OAHLLOKOSA-N	309.500	4.902	50	20	DJGD	
Cc1oc2ccccc2c1/C=C(/C#N)c1cnc2ccccc2n1	588580790	QGEDKUBBGLCUGO-UVTDQMKNSA-N	311.344	4.749	50	20	DJGD	
C[C@H]1CCC[C@@H](C)[C@@H]1NC(=O)CCCC[C@H]1CCSS1	736110813	GKAFTXVDSPIMRQ-KNCOVGOOSA-N	315.548	4.641	50	20	DJGD	
O=C(NN=C1CC[C@H]2CCCC[C@@H]2C1)c1cc2ccccc2o1	749823629	NGAUJFAULRUTEX-ZIAGYGMSSA-N	310.397	4.509	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1cccc(Cl)c1F	759642161	HKUGEAZLKLRSRI-YRNVUSSQSA-N	305.761	4.639	50	20	DJGD	
C=CCC[C@H](C(=O)NNc1cccc(Cl)c1)c1ccccc1	778387592	FQKWBGLJGCTAOG-KRWDZBQOSA-N	314.816	4.533	50	20	DJGD	
CCOc1ccc(/C=C(/C#N)C(=O)c2cccc(Cl)c2)cc1	810216174	FDJKKZMZDVHACB-GDNBJRDFSA-N	311.768	4.529	50	20	DJGD	
CC[C@H](C)c1ccc([C@@H](NC=C(C#N)C#N)c2cccs2)cc1	747841102	PCHVOZFGHQRARZ-IFXJQAMLSA-N	321.449	4.872	50	20	DJGD	
CC(=C/c1ccccc1OC(F)F)/C=C(/C#N)C(=O)C(C)(C)C	811685364	PYDUJPINHIKUFJ-DCKTUCEMSA-N	319.351	4.756	50	20	DJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccc(F)c(C)c2)c(C)c1	103717201	HINCAVRKORUJBT-YVLHZVERSA-N	322.383	4.605	50	20	DJGD	
Cc1cc(/C(C#N)=C\c2cc3ccccc3o2)ccc1[N+](=O)[O-]	774557877	GCCXMNYXWRENGW-GDNBJRDFSA-N	304.305	4.714	50	20	DJGD	
COc1cc(/C(C#N)=C\c2ccccc2C2CC2)ccc1[N+](=O)[O-]	774559993	KKXHIUQWRHKBPF-YBEGLDIGSA-N	320.348	4.545	50	20	DJGD	
CC(=C/c1cccc([N+](=O)[O-])c1)/C=C(\C#N)C(=O)C1CCCCC1	787172040	SEJPFHSOLVJBJR-AIXGLBGOSA-N	324.380	4.597	50	20	DJGD	
C=CCOc1ccc(/C=C(/C#N)C(=O)C(CC)CC)cc1Cl	727267258	RGRXUBDOXIMYEQ-GDNBJRDFSA-N	317.816	4.817	50	20	DJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3cc(F)ccc3C)c[nH]c2c1	777870635	FTMKGZUTQLAZRW-OVCLIPMQSA-N	318.351	4.714	50	20	DJGD	
N#C/C(=C/c1cc2cc(F)ccc2o1)c1cnc2ccccc2n1	790230535	DRZYYSKBKJZQKU-LCYFTJDESA-N	315.307	4.579	50	20	DJGD	
Cn1c(/C(C#N)=C/c2ccc3ccccc3c2)nc2ccccc21	6210059	HKVXLZRISYWXSD-QGOAFFKASA-N	309.372	4.791	50	20	DJGD	
Cc1ccc(C)c(NNC(=O)c2cc3cc(C)ccc3s2)c1	810682715	KZJYVOFQQNDCFC-UHFFFAOYSA-N	310.422	4.583	50	20	DJGD	
N#C/C(=C\c1cccc(F)c1C#N)c1nc2cc(F)ccc2s1	811691801	RSIRZKUECIUBPY-IZZDOVSWSA-N	323.327	4.510	50	20	DJGD	
CC(C)Sc1ccc(C(=O)NNc2ccccc2Cl)cc1	158472967	WYCKZVVCDOZXOV-UHFFFAOYSA-N	320.845	4.597	50	20	DJGD	
N#C/C(=C\c1cc(C(F)(F)F)ccc1F)C(=O)c1ccccc1	733205474	XAFXGCOTRXFDRU-MDWZMJQESA-N	319.257	4.634	50	20	DJGD	
CC(C)c1ccc([C@@H](C)CC(=O)NNc2ccc(F)cc2)cc1	737789422	VWDJZBPTNMCOQW-AWEZNQCLSA-N	314.404	4.586	50	20	DJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(-c2ccccc2OC)cc1	741467206	LPRVOPJPOVNOBD-QLENYVDCSA-N	319.404	4.884	50	20	DJGD	
Cc1ccc(C)c(/C=C(\C#N)C(=O)c2cc3ccccc3o2)c1	916131579	ZRMCFXOTRZSLSP-LICLKQGHSA-N	301.345	4.840	50	20	DJGD	
Cc1ccc(N(C)C(=O)CCCC[C@@H]2CCSS2)cc1C	918657913	JNSLPNGYBUJHNF-MRXNPFEDSA-N	323.527	4.980	50	20	DJGD	
N#C/C(=C/c1cccc(F)c1F)c1nc2cc(F)ccc2s1	730729097	DGTYRNMQWGPFOZ-POHAHGRESA-N	316.307	4.778	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(C)c3ncccc3c2)cc1	764921331	ROCAUAJMSWXOKG-UNOMPAQXSA-N	312.372	4.642	50	20	DJGD	
Cc1cc(/C(C#N)=C/c2cccc(OC(C)C)c2)ccc1[N+](=O)[O-]	774558003	HUKGBIKLHXEDRU-LICLKQGHSA-N	322.364	4.755	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccc(Cl)cc1F	782196611	FWCUCVILXLRBMX-WDZFZDKYSA-N	305.761	4.639	50	20	DJGD	
Cc1cc(/C=C(\C#N)C(=O)CC(C)(C)C)c(C)n1CC(C)C	918733720	RXIKYPQGKWWBDF-RQZCQDPDSA-N	300.446	4.673	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cccc(-c2cccnc2)c1	129038188	FNOHVTZENXSJHA-IYSPOMMRSA-N	304.393	4.661	50	20	DJGD	
Cc1csc(/C(C#N)=C\c2ccc(OCCC(C)C)cc2)n1	211688914	JWMKZWWMINJYPU-YBEGLDIGSA-N	312.438	4.941	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C\c3cnc(C(C)(C)C)s3)[nH]c12	736433329	DAHCMXVDNKZOBZ-WQLSENKSSA-N	322.437	4.690	50	20	DJGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cc(C(F)(F)F)ccc1Cl	753682133	CZTNPQHZUHBZBU-ISAHRAOESA-N	315.722	4.881	50	20	DJGD	
CC(C)(C)C(=O)/C(C#N)=C\c1cc(Cl)cc(C(F)(F)F)c1	780149205	UTTXJOUFDGHRIY-WMZJFQQLSA-N	315.722	4.881	50	20	DJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cccc(Cl)c1	7157803	QFWDWZXPRJKUJC-OQLLNIDSSA-N	310.784	4.503	50	20	DJGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2ccc(OC)c(F)c2)cc1	8199441	GCWPUBAVUNZUAC-GZTJUZNOSA-N	323.367	4.577	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C/C2=Cc3ccccc3OC2)n1	255837761	KSUBIHDGMMCRDM-OVCLIPMQSA-N	308.406	4.649	50	20	DJGD	
CCC(CC)(C(=O)NNc1cccc(Cl)c1)c1ccccc1	743744890	BIYWTCWZFYGILG-UHFFFAOYSA-N	316.832	4.541	50	20	DJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3ccc(F)cc3C)c[nH]c2c1	750902101	VFMJNJMQELUBPH-OQLLNIDSSA-N	318.351	4.714	50	20	DJGD	
C=C(CBr)CN[C@@H](C)c1ccc(F)c2ccccc12	808769535	ZDEIINVHAGYSEL-LBPRGKRZSA-N	322.221	4.581	50	20	DJGD	
N#C/C(=C/c1cccc2ccccc12)C(=O)OC1CCCCC1	834744845	VJRBAPUZKQICST-LGMDPLHJSA-N	305.377	4.623	50	20	DJGD	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)[C@@H]1C[C@H]1F	1349506703	OUWPKCRFWOOJFK-RKDXNWHRSA-N	305.243	4.641	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(C)o1	175622276	XOQPXDLUDSDQPI-UHFFFAOYSA-N	314.410	4.538	50	20	DJGD	
CC(C)COc1ccc(/C=C(/C#N)C(=O)c2ccccc2F)cc1	730150499	AESDJSVAPNNPJU-WJDWOHSUSA-N	323.367	4.650	50	20	DJGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cscc2Cl)c1C	771840529	KRDMRVAXEJFYRH-SDQBBNPISA-N	316.813	4.564	50	20	DJGD	
COc1cccc2cc(/C=C(\C#N)C(=O)c3sccc3C)oc12	915990172	KZEHEBJEEDJWEA-UKTHLTGXSA-N	323.373	4.601	50	20	DJGD	
CCc1cccc2c(/C=C(/C#N)C(=O)c3cccc(F)c3)c[nH]c12	772172483	QPAZRPOYXYHHCD-DHDCSXOGSA-N	318.351	4.659	50	20	DJGD	
N#CC1=CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1	779589466	ITYWTBRQNKYSKH-UHFFFAOYSA-N	324.811	4.788	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C\c3ccc(Cl)cc3F)[nH]c12	782197209	PMYUNVVUNIJCQG-GHXNOFRVSA-N	311.747	4.728	50	20	DJGD	
CCOc1ccc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)cc1	812248527	OLIRDUXWURHTOQ-LCYFTJDESA-N	318.298	4.563	50	20	DJGD	
C[C@@H](CCO)N(C)Cc1cccc(S(F)(F)(F)(F)F)c1	895185448	MRTAKPRAJSQEQF-JTQLQIEISA-N	319.339	4.547	50	20	DJGD	
N#C/C(=C/c1ccc(Cl)c(F)c1)C(=O)c1c[nH]c2ccccc12	921259757	YLICHBATNQQMKM-GHXNOFRVSA-N	324.742	4.750	50	20	DJGD	
CC(C)[C@@H](Br)C(=O)c1ccc(Cl)c(Cl)c1	71423385	GRAJDYCOPPFCBA-SNVBAGLBSA-N	310.018	4.596	50	20	DJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cc2cccc(C)c2nc1Cl	726595058	STVMDTJJVLAPOX-ZRRZQRFHSA-N	312.800	4.719	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cccc(OC2CCCC2)c1	741475213	WGFIVKTVEDFAEN-ZKMNFCBKSA-N	311.425	4.920	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C\c2cnc(C(C)C)s2)n1	758417999	MFEBEOJUCQTGJE-WZUFQYTHSA-N	303.456	4.911	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(Cl)cc2C)s1	767352181	PEQRACIDMFHKIF-JYRVWZFOSA-N	301.798	4.808	50	20	DJGD	
Cc1cccc(NNC(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)c1	914604388	PWZWOAWLGBKMEB-UHFFFAOYSA-N	321.424	4.531	50	20	DJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)[C@@H]1C[C@@H]1F	1527986289	OJEPMNNTGIREEM-BDAKNGLRSA-N	305.243	4.641	50	20	DJGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1ccc(Cl)cc1	6210156	QUVBOKBWQOMVKE-GXDHUFHOSA-N	320.779	4.920	50	20	DJGD	
N#C/C(=C\c1cc2ccccc2o1)C(=O)Nc1ccc(Cl)cc1	11286044	RPGXDQQQIMKZNU-JLHYYAGUSA-N	322.751	4.632	50	20	DJGD	
Clc1ccccc1CO[C@H]1CCCC[C@H]1Br	50502806	OHFOYZITSJFRRK-YPMHNXCESA-N	303.627	4.563	50	20	DJGD	
N#C/C(=C/c1coc(-c2ccccc2)n1)c1ccc2ccccc2n1	749891516	MCSGEBGLHZWELX-ATVHPVEESA-N	323.355	4.954	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C\c2ncccc2C(F)(F)F)n1	765501760	GJFLJMCNSBVWFB-POHAHGRESA-N	323.343	4.744	50	20	DJGD	
CC(C)(CCCCCl)c1nc(O)c2cc(Cl)ccc2n1	766290965	ZUHHTDMLSRCESH-UHFFFAOYSA-N	313.228	4.676	50	20	DJGD	
Cc1cc(Cl)cc(C)c1/C=C(\C#N)C(=O)c1ccccc1F	776189184	BPSPAJBLOAFGIL-UKTHLTGXSA-N	313.759	4.886	50	20	DJGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cs2)cc1	779753991	ZJVURCAEFGQRPW-KPKJPENVSA-N	316.813	4.510	50	20	DJGD	
C[C@H](N(C)C(=O)CCCC[C@@H]1CCSS1)C(C)(C)C	914431486	BKSFYHPUIRBCOE-QWHCGFSZSA-N	303.537	4.594	50	20	DJGD	
Cc1cc(CNc2cccc(S(F)(F)(F)(F)F)c2)n[nH]1	1323927348	BCMRJEUORXQMAA-UHFFFAOYSA-N	313.295	4.988	50	20	DJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccccc2Cl)c(C)c1	6410988	DHQVEKURYCDYNU-MHWRWJLKSA-N	324.811	4.811	50	20	DJGD	
CCc1ccccc1NC(=O)CCCC[C@@H]1CCSS1	42184874	BBEDMOBDWXADRX-CQSZACIVSA-N	309.500	4.902	50	20	DJGD	
COc1ccc(/C=C(\C#N)c2nc(C)cs2)c2ccccc12	193864203	HYUTXIVRSXVYAL-NTEUORMPSA-N	306.390	4.678	50	20	DJGD	
Cc1ccc(F)c(/C=C(\C#N)c2nc3cc(F)ccc3s2)c1	734980101	FSTUIAKPISMJGT-KPKJPENVSA-N	312.344	4.947	50	20	DJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cnc(C3CCC3)s2)c1	760208791	BFSRJNWXZDAZRI-SXGWCWSVSA-N	322.433	4.817	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cc(C)co1	887902376	VAYFTPKHWSWOGE-UHFFFAOYSA-N	314.410	4.538	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C/c2ccccc2OC(F)F)n1	176918347	NJENORNKGRCTNU-KPKJPENVSA-N	320.364	4.932	50	20	DJGD	
N#C/C(=C\c1cccc(-c2cccnc2)c1)C(=O)c1ccsc1	178350883	CLEMPFZJZZKPFS-VCHYOVAHSA-N	316.385	4.600	50	20	DJGD	
Cc1occc1C(=O)/C(C#N)=C/c1nc(-c2ccccc2)cs1	727975260	VLGOAAGWFMKFKB-NTEUORMPSA-N	320.373	4.501	50	20	DJGD	
O=C(CCC1CCCCC1)NNc1cccc(C(F)(F)F)c1	301218810	UCXQUUPVQWDQGL-UHFFFAOYSA-N	314.351	4.509	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(F)c(Br)c1	741470757	UVHOGIYZPAYIQR-VPMLRQHESA-N	324.193	4.500	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CC1(C)CC1	757920224	KJOBHZOWLMAEJA-UHFFFAOYSA-N	302.443	4.513	50	20	DJGD	
CCCCCCCCC[C@H](C)CC(=O)N1CC=C(C#N)CC1	787484112	XLFXFTXXMSZQJH-KRWDZBQOSA-N	304.478	4.836	50	20	DJGD	
Cc1cc(Cl)cc(C)c1/C=C(\C#N)c1cnc2ccccc2n1	790231007	IIFSBSFICRMFFM-NTEUORMPSA-N	319.795	4.964	50	20	DJGD	
CCCN(N=C(C)c1csc(Cl)c1)C(=O)OC(C)(C)C	794997700	CKFBRPVSVNRWFG-UHFFFAOYSA-N	316.854	4.773	50	20	DJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2sccc2C)cc1Cl	766290247	OMBPDDFMGAZKCY-NTUHNPAUSA-N	301.798	4.808	50	20	DJGD	
N#C/C(=C/c1cnc(C2CCCC2)s1)C(=O)C1CCCCC1	767714461	PVOBXDLVEHSHEM-GDNBJRDFSA-N	314.454	4.857	50	20	DJGD	
Cc1oc2ccccc2c1/C=C(\C#N)C(=O)c1cc(F)cc(F)c1	772178010	DWLWJTNXIRRRLK-MDWZMJQESA-N	323.298	4.809	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(F)cc(Cl)c2)s1	776720621	QWZXYDHHYGBRQJ-WCIBSUBMSA-N	305.761	4.639	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(F)c(C(F)(F)F)c1	794874998	QLETXAHAQGCTEM-XFFZJAGNSA-N	313.294	4.757	50	20	DJGD	
CCN(CC(C)(C)C)C(=O)CCCC[C@@H]1CCSS1	812755932	FRRDQTGKYVCBPB-CYBMUJFWSA-N	303.537	4.595	50	20	DJGD	
Cc1cccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)c1	59270105	KCAINFONCROACE-RIYZIHGNSA-N	320.779	4.920	50	20	DJGD	
CC(C)(C)c1ccc(Br)c(CBr)c1	118567911	HUXSKLOMHKXBTF-UHFFFAOYSA-N	306.041	4.642	50	20	DJGD	
Cc1ccc(-c2ccsc2C(=O)NNc2cccc(C)c2)cc1	194829332	SFOVGJCOVCBQBP-UHFFFAOYSA-N	322.433	4.789	50	20	DJGD	
N#C/C(=C/c1ccccc1F)C(=O)c1cccc(C(F)(F)F)c1	780374651	PNXVQOXPFWBQQP-JYRVWZFOSA-N	319.257	4.634	50	20	DJGD	
N#C/C(=C/c1ccc2cnccc2c1)c1ccc2ccccc2n1	782330127	OYEPTTAKLHQOPF-UNOMPAQXSA-N	307.356	4.847	50	20	DJGD	
CCc1ccc(/C=C(\C#N)C(=O)c2cc3ccccc3s2)o1	788329694	XAWNASMLAHKTME-UKTHLTGXSA-N	307.374	4.847	50	20	DJGD	
CCn1c(C)cc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)c1C	797399020	NRBSZOYUFLVGCY-DHDCSXOGSA-N	313.470	4.943	50	20	DJGD	
Cc1cc(C)cc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)c1	921270026	RBOAYYVMFBQYTF-OVCLIPMQSA-N	318.351	4.714	50	20	DJGD	
N#C/C(=C\c1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1	5869803	MJIFYKQAIDBHEK-WUXMJOGZSA-N	317.175	4.539	50	20	DJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1	6210166	KSZDGAOZHCGJRX-LFIBNONCSA-N	300.361	4.575	50	20	DJGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1cccc(-c2ccccn2)c1	158327755	YUPWDKDWEDBHFV-SFQUDFHCSA-N	304.393	4.661	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2ccccc2OC(C)C)c1C	727655217	RGMKPSUTWYPYRS-LDADJPATSA-N	319.404	4.881	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cccc(C(F)(F)F)c2)s1	729823058	HDJIATVLTKPZRG-GHXNOFRVSA-N	321.323	4.865	50	20	DJGD	
Cn1c(/C(C#N)=C\c2cc3cc(F)ccc3o2)nc2ccccc21	741851778	GQVCDPSKLHQCLC-RAXLEYEMSA-N	317.323	4.523	50	20	DJGD	
Cc1cscc1NC(=O)NNc1c(Cl)cccc1Cl	775683458	SGDSGWULHNYNIF-UHFFFAOYSA-N	316.213	4.512	50	20	DJGD	
COc1cc(F)cc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)c1	834441511	LNOMFXLWEJBRTG-LFYBBSHMSA-N	316.401	4.652	50	20	DJGD	
CCN(C)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184410456	XOXFFTGZSKBCFQ-UHFFFAOYSA-N	304.284	4.828	50	20	DJGD	
N#C/C(=C/c1cc2ccccc2s1)c1cnc2ccccc2n1	191349183	MBHMNGIKEOGEMC-UVTDQMKNSA-N	313.385	4.909	50	20	DJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cccc(OCc2ccccc2)c1	726427967	CAOUMFVJFBLBRK-BKAYVGFPSA-N	319.404	4.788	50	20	DJGD	
O=C(NNc1ccccc1)N[C@H](c1ccccc1)C1CCCCC1	734269406	JTIVMOHQJPLZDZ-LJQANCHMSA-N	323.440	4.634	50	20	DJGD	
O=C(NN=Cc1ccc2ccccc2c1)c1cccc2ccccc12	741463064	WWLFQOKBFBFSGY-UHFFFAOYSA-N	324.383	4.757	50	20	DJGD	
COc1ccc(-c2ccccc2)cc1/C=C(/C#N)c1ccccn1	756782345	BHDQYVJVEJSJQY-RGEXLXHISA-N	312.372	4.821	50	20	DJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2sccc2Cl)c1	780004206	IDYHDFUHUOLQTQ-MDWZMJQESA-N	301.798	4.808	50	20	DJGD	
Cc1ccc(F)cc1/C=C(\C#N)C(=O)c1ccc(Cl)s1	783687086	FPQMMEMDFDHTLA-IZZDOVSWSA-N	305.761	4.639	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cccc(CCl)c1	799892086	VTPDIGZMZZWLNN-ZSOIEALJSA-N	301.798	4.585	50	20	DJGD	
CC(C)c1ccc(NNC(=O)[C@H](C)c2ccc(Cl)s2)cc1	837054381	PXKMFGKERWVQSZ-LLVKDONJSA-N	322.861	4.772	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C\C2=Cc3ccccc3OC2)n1	83024422	KSUBIHDGMMCRDM-NVNXTCNLSA-N	308.406	4.649	50	20	DJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccsc1Cl	491100293	AMPQXQYQNAAJMV-JYRVWZFOSA-N	316.813	4.564	50	20	DJGD	
N#C/C(=C/c1ccc(Cl)s1)C(=O)c1ccc(Cl)s1	588424562	IFNJOPBEEYMPJR-ALCCZGGFSA-N	314.218	4.906	50	20	DJGD	
C=CCOc1ccc(/C=C(\C#N)C(=O)C(CC)CC)cc1Cl	727267259	RGRXUBDOXIMYEQ-XNTDXEJSSA-N	317.816	4.817	50	20	DJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(-c2ccccc2OC)cc1	741467207	LPRVOPJPOVNOBD-VUODPORTSA-N	319.404	4.884	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(OCC3CC3)cc2)s1	790098824	AOUZSPAEUWLSMU-YBEGLDIGSA-N	323.417	4.635	50	20	DJGD	
CCN(CC(C)(C)C)C(=O)CCCC[C@H]1CCSS1	812755935	FRRDQTGKYVCBPB-ZDUSSCGKSA-N	303.537	4.595	50	20	DJGD	
COCc1csc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)c1	849178866	IAQRJMLFUSXWSH-SDQBBNPISA-N	318.467	4.713	50	20	DJGD	
CCc1ccc(C(=O)NN=C(C)CC(C)(C)c2ccccc2)cc1	915947575	CXJYKBNLVJKBBM-UHFFFAOYSA-N	322.452	4.723	50	20	DJGD	
CC(C)(C)C1CCC(=NNC(=O)c2cc3c(s2)CCC3)CC1	8341051	FDDOKAFOCAMSNI-UHFFFAOYSA-N	318.486	4.559	50	20	DJGD	
CC(=C/c1ccccc1)/C=C(\C#N)C(=O)c1cc(F)cc(F)c1	773169395	BCYMQXKQROECPX-QBZWNVLOSA-N	309.315	4.701	50	20	DJGD	
CCCc1cccc(/C=C(\C#N)c2nc(-c3ccccc3)no2)c1	773909367	RKOXFQXNFRNSHJ-QGOAFFKASA-N	315.376	4.753	50	20	DJGD	
N#C/C(=C/c1sccc1Cl)c1nc(-c2ccccc2)no1	779798588	PJPIPOQIBBKFKJ-FLIBITNWSA-N	313.769	4.516	50	20	DJGD	
CN1/C(=C/C=C(\C#N)C(=O)C2CCCC2)C(C)(C)c2ccccc21	781552629	BHYCYIVDPMBWRX-BLAZZTHISA-N	320.436	4.507	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1csc(C(F)(F)F)c1	863186448	YBXLFGLGKLGXMR-BVBCSLMJSA-N	301.333	4.679	50	20	DJGD	
C[C@@H](Sc1ccccc1)c1ccc(NC(=O)CCl)cc1	1320465361	GBKGFZXEDDQNJE-GFCCVEGCSA-N	305.830	4.717	50	20	DJGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2cc(C)ccc2C)c(C)c1	7159757	VOOVIURPGWMJGD-YBFXNURJSA-N	318.420	4.774	50	20	DJGD	
Cc1ccc(/C=C(/C#N)c2nc(C(C)C)cs2)cc1[N+](=O)[O-]	83015558	STGSUDNBOMLESX-MLPAPPSSSA-N	313.382	4.547	50	20	DJGD	
Cc1nc(/C(C#N)=C/C=C/c2ccc(F)c(F)c2)sc1C	794701248	LIUOJIUHHBFXHR-HJSZHNSDSA-N	302.349	4.659	50	20	DJGD	
Cc1cccc(Oc2ccccc2C(=O)NNc2ccccc2)c1	799704824	LUGJPNTZYVXHHR-UHFFFAOYSA-N	318.376	4.544	50	20	DJGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccsc2)c2ccccc12	915989306	CVVRHGBOHJMEMS-GDNBJRDFSA-N	319.385	4.700	50	20	DJGD	
Cc1cccc(NNC(=O)c2ccc(C3CCCCC3)cc2)c1	216308765	HWSMOQVYWLXEIF-UHFFFAOYSA-N	308.425	4.800	50	20	DJGD	
O=C(NNc1ccccc1Cl)c1ccc(C2CCCC2)cc1	810682893	RVNQCMPULJRMSI-UHFFFAOYSA-N	314.816	4.755	50	20	DJGD	
COc1cccc2cc(/C=C(\C#N)C(=O)c3ccccc3C)oc12	1317704627	ODDOJZWNIFHFOH-RVDMUPIBSA-N	317.344	4.540	50	20	DJGD	
CSc1ccc(/C=C(\C#N)C(=O)c2ccc(Cl)s2)cc1	783714867	NBTANQKVJMBKSD-DHZHZOJOSA-N	319.838	4.913	50	20	DJGD	
N#C/C(=C\c1cc(Cl)ccc1Br)c1ccccn1	172814046	LKIFPNAWQJXXHS-YRNVUSSQSA-N	319.589	4.562	50	20	DJGD	
CC(C)OCC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	273927439	HDUGQJRSJZVJGQ-UHFFFAOYSA-N	319.295	4.708	50	20	DJGD	
CC(C)CCO[C@@H](CBr)c1ccccc1Cl	71125338	XGLDVQWCUHAISG-ZDUSSCGKSA-N	305.643	4.839	50	20	DJGD	
Cc1cccc(/C=C(\C#N)C(=O)C2CCCCC2)c1OC(F)F	777871308	KPIIPUBVGJUAJJ-XNTDXEJSSA-N	319.351	4.653	50	20	DJGD	
CCOc1ccc(/C=C(\C#N)C(=O)c2cc(C)cc(C)c2)cc1F	780004127	FLUJJXFNJKJYNQ-LICLKQGHSA-N	323.367	4.631	50	20	DJGD	
C[C@@H]1C[C@H](NCc2cccc(S(F)(F)(F)(F)F)c2)CO1	842712638	SIESVLWMECLZSR-KOLCDFICSA-N	317.323	4.611	50	20	DJGD	
Cc1cccc2cc(/C=C(\C#N)C(=O)CC(C)C)c(Cl)nc12	726183982	PKQVKNKZGFBUEJ-OQLLNIDSSA-N	312.800	4.719	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(N(CC)CC)c(F)c1	741473038	DYSGROXFKNXYMV-HNDQUVLASA-N	316.420	4.584	50	20	DJGD	
O=C(CCCC1CCCC1)NNc1ccccc1C(F)(F)F	742516551	CIKAJZBZSWKGLS-UHFFFAOYSA-N	314.351	4.509	50	20	DJGD	
N#C/C(=C/c1ccc2occc2c1)C(=O)c1cc2ccccc2o1	794686880	PEZUKYYSYNNMQH-YBEGLDIGSA-N	313.312	4.969	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1c(C)[nH]c2ccccc12	812766701	MVZWEJQKQJKZGH-UHFFFAOYSA-N	321.424	4.665	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(F)c(Br)c1	726117940	GCTCKCGUNVYPDP-GHXNOFRVSA-N	324.193	4.500	50	20	DJGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2cc(C)ccc2F)c1C	734981709	UUXZETHTMLVKND-GZTJUZNOSA-N	324.399	4.752	50	20	DJGD	
Cc1cccc(/C=C(\C#N)C(=O)CC(C)(C)C)c1OC(F)F	777870341	CVJHSZSZSJLXGX-MDWZMJQESA-N	307.340	4.509	50	20	DJGD	
COc1cccc(/C=C(\C#N)C(=O)c2cc3ccccc3s2)c1	788328477	OLOYNDYBLRFUCE-OQLLNIDSSA-N	319.385	4.700	50	20	DJGD	
N#C/C(=C\c1ccsc1Cl)C(=O)c1cc2ccccc2o1	790099190	IWUPLMWLUBYFEZ-KPKJPENVSA-N	313.765	4.938	50	20	DJGD	
N#C/C(=C/c1ccc(Cl)cc1)C(=O)c1cccc(Cl)c1	810216635	LYVWVHNIFXMNJC-JYRVWZFOSA-N	302.160	4.783	50	20	DJGD	
Cc1ccc(F)cc1/C=C(/C#N)c1cc(C(F)(F)F)ccn1	812246007	ASKZGVAROZSSOB-SDQBBNPISA-N	306.262	4.612	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc(F)cc1Cl	812768919	MWMOCAQZWXCLLU-UHFFFAOYSA-N	320.795	4.668	50	20	DJGD	
c1ccc(-c2nnc(CCCC[C@H]3CCSS3)o2)cc1	1253074833	UZNYNAYRUYXFPQ-ZDUSSCGKSA-N	306.456	4.603	50	20	DJGD	
CCc1ccc(C(=O)NN=C2CCC(C(C)(C)C)CC2)cc1	8407635	QFOSOUBWWVXDEU-UHFFFAOYSA-N	300.446	4.571	50	20	DJGD	
C[C@H](C(=O)NNc1cccc(Cl)c1)c1ccc2ccccc2c1	753285752	SYNMFKLJWMBLBC-ZDUSSCGKSA-N	324.811	4.740	50	20	DJGD	
N#C/C(=C/c1ccc(Br)cc1)C(=O)C1CCCCC1	767712724	FDHXZGGUPDLJFR-UVTDQMKNSA-N	318.214	4.505	50	20	DJGD	
Cc1cccc(NC(=O)CCCC[C@H]2CCSS2)c1F	775807090	BKKNYZTYTQULLJ-LBPRGKRZSA-N	313.463	4.787	50	20	DJGD	
CSc1cc(/C(C#N)=C\c2ccc(C3CCC3)cc2)ncn1	834438349	OXXLDWFXSAHBKJ-SXGWCWSVSA-N	307.422	4.530	50	20	DJGD	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)c3ccoc3C)o2)cc1	915985541	NLFGUXPJMZXKLN-LFIBNONCSA-N	317.344	4.946	50	20	DJGD	
Cc1c(C(=O)NNc2ccccc2)oc2c1ccc1ccccc12	97637525	MQJCGSVHLACVCI-UHFFFAOYSA-N	316.360	4.651	50	20	DJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cc1	206971195	GCWWWPUCTFZOSD-ZSOIEALJSA-N	320.779	4.920	50	20	DJGD	
N#C/C(=C/c1ccc(F)c(F)c1)C(=O)c1ccc(Cl)cc1F	255737376	MDSMVSGIPGUUJC-YHYXMXQVSA-N	321.685	4.547	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2ccc(Cl)s2)c1C	727655606	YVDZDRAMEKVZDB-WQLSENKSSA-N	301.798	4.808	50	20	DJGD	
Cc1ccc(-c2csc(/C(C#N)=C\c3c(C)noc3C)n2)cc1	747099828	IPGREZSYTTXGBR-NVNXTCNLSA-N	321.405	4.788	50	20	DJGD	
COc1cccc(C(=O)/C(C#N)=C/c2c(C)oc3ccccc23)c1	759031834	CGTDIRPBGFUACM-RVDMUPIBSA-N	317.344	4.540	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C/C(C)=C/c1ccccc1COC	814189985	MGXSSFLVJTZGJA-KFGDLTOCSA-N	311.425	4.692	50	20	DJGD	
N#C/C(=C/c1ccc(F)cc1)c1nc2ccccc2n1C(F)F	193315544	BQPGFIPVJRONNO-XFXZXTDPSA-N	313.282	4.635	50	20	DJGD	
CC(C)CN(C(=O)CCCC[C@H]1CCSS1)C(C)C	727376559	QBPLHNVMRZOVLK-AWEZNQCLSA-N	303.537	4.594	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccccc2C(F)(F)F)s1	729824316	ZABZTDKILVRGJY-XYOKQWHBSA-N	321.323	4.865	50	20	DJGD	
Cc1cc(/C=C(/C#N)c2nc3cc(F)ccc3s2)cc(C)c1O	730149244	VJSCCDUWWIFKEF-QPEQYQDCSA-N	324.380	4.822	50	20	DJGD	
N#C/C(=C\c1ccc(SC(F)F)cc1)C(=O)C1CCCC1	781555144	CYQHGHLDYDZYPB-UKTHLTGXSA-N	307.365	4.668	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(C(C)C)c([N+](=O)[O-])c1	794874978	QCVOSFPAAPHSHT-ZROIWOOFSA-N	314.385	4.630	50	20	DJGD	
Cc1ccc(C(=O)NNc2c(C)cccc2C(C)C)c(Cl)c1	812766158	APPANXLKLYQCOM-UHFFFAOYSA-N	316.832	4.837	50	20	DJGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1csc(C(F)(F)F)c1	863182747	XLOAEHBSNBGLKH-ONNFQVAWSA-N	301.333	4.679	50	20	DJGD	
CCc1cccc2c(/C=C(\C#N)c3nc(C)c(C)s3)c[nH]c12	741467193	LIEXUHQEOMRDOR-RIYZIHGNSA-N	307.422	4.868	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C\c2coc(-c3ccccc3)n2)n1	749893442	IDFIYPMVYPASMJ-ZSOIEALJSA-N	321.405	4.986	50	20	DJGD	
N#C/C(=C\c1cnc(C2CCCC2)s1)C(=O)c1ccccc1	767708501	WMWUCAKYVCLUMX-XNTDXEJSSA-N	308.406	4.591	50	20	DJGD	
N#C/C(=C/c1sccc1Cl)c1cc(C(F)(F)F)ccn1	812246549	NZPXCEXZUVBNLQ-YVMONPNESA-N	314.719	4.879	50	20	DJGD	
CC[C@@H](C#N)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	690180104	FGKGGKGAXBJWBX-QMMMGPOBSA-N	314.279	4.832	50	20	DJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccccc1OCc1ccccc1	726428187	GVSWDIHTGQZXCA-YZYPPFLQSA-N	319.404	4.788	50	20	DJGD	
Cc1cccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)c1C	731157179	TYEAKJJRXUNLMV-OVCLIPMQSA-N	318.351	4.714	50	20	DJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(-c2ccc(F)cc2C)o1	734304858	YOAOTOBEVMUSJA-XTCQQWIJSA-N	311.356	4.916	50	20	DJGD	
CC(C)(CCNC(=O)CCCC[C@H]1CCSS1)C1CC1	819149298	GFGYRLIKCOSXQJ-AWEZNQCLSA-N	315.548	4.643	50	20	DJGD	
Cc1ccc(NNC(=O)c2ccc(-c3cccs3)s2)cc1	1320027447	XHHPGMANPNKFDX-UHFFFAOYSA-N	314.435	4.542	50	20	DJGD	
C[C@@H](NC(=O)CCCC[C@H]1CCSS1)c1ccccc1	61468267	DMRLWLRNXWRNII-HIFRSBDPSA-N	309.500	4.578	50	20	DJGD	
Cc1cc(C=C(C#N)C#N)cc(C)c1OCc1ccccc1Cl	734753264	QQHNXYJGWVYMEF-UHFFFAOYSA-N	322.795	4.966	50	20	DJGD	
Cc1cc(/C=C(\C#N)C(=O)C2CCCC2)cc(C)c1OC(F)F	781553439	RQIPKENXUNQOBX-OQLLNIDSSA-N	319.351	4.571	50	20	DJGD	
N#C/C(=C/c1cc(Cl)cc(C(F)(F)F)c1)c1ccccn1	588534527	LQILVHMUHMNQPZ-WZUFQYTHSA-N	308.690	4.818	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(C(C)C)c([N+](=O)[O-])c1	741473774	KYYULZSGXKXXFH-GRRFOWRYSA-N	314.385	4.630	50	20	DJGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(F)c(Br)c1	794873536	FTAWAXDEHOJZPS-XFFZJAGNSA-N	324.193	4.500	50	20	DJGD	
Cc1cc(C)cc(NNC(=O)c2cc3cc(C)ccc3s2)c1	810046793	XQPHBXHAHNZKCP-UHFFFAOYSA-N	310.422	4.583	50	20	DJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)c(C)c1	16441519	PQOYPHGSTYVNIU-MHWRWJLKSA-N	300.361	4.575	50	20	DJGD	
CCOc1ccc(-c2[nH]c3ccccc3c2C(=O)CCl)cc1	20284119	BMNRWRMIGGGLPW-UHFFFAOYSA-N	313.784	4.655	50	20	DJGD	
C/C(N)=C(\C#N)c1nc(-c2sc3ccccc3c2C)cs1	798227278	AYUUTMMBDDJIAW-BENRWUELSA-N	311.435	4.547	50	20	DJGD	
Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)c3ccoc3C)o2)cc1	915985542	NLFGUXPJMZXKLN-WJDWOHSUSA-N	317.344	4.946	50	20	DJGD	
N#C/C(=C/c1cc(Cl)cc(Cl)c1)c1nc2ccccc2[nH]1	917517305	NMJYMOPBJHLXEA-WZUFQYTHSA-N	314.175	4.934	50	20	DJGD	
CC/C(=C/C(=O)NNc1cccc(Cl)c1)c1ccc(C)cc1	741665718	VOBOBFAICLYXKH-KAMYIIQDSA-N	314.816	4.585	50	20	DJGD	
CC(C)CC(CC(C)C)=NNC(=O)c1cc2ccccc2o1	749822156	ASVKHYDKJDVEGR-UHFFFAOYSA-N	300.402	4.611	50	20	DJGD	
CC(/C=C(\C#N)c1ccc([N+](=O)[O-])c(C)c1)=C\c1ccccc1	774559474	SLWHFBQRYNSTAI-HIMLSBAZSA-N	304.349	4.914	50	20	DJGD	
CCCN(N=C/C=C\c1ccc(F)cc1F)C(=O)OC(C)(C)C	794996583	JDEVNZLJRPXZSO-QPXAEHOUSA-N	324.371	4.611	50	20	DJGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc(Cl)cc1F	812769342	CAGBWAPJAIRKFQ-UHFFFAOYSA-N	320.795	4.668	50	20	DJGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1cnc(C(C)(C)C)s1	1321969196	RGCQTANOQAYBJK-UKTHLTGXSA-N	310.422	4.539	50	20	DJGD	
CCc1oc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccccc1	18908406	MGUBDXSXXGXIOM-WYMLVPIESA-N	316.360	4.541	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cnc(C(C)C)s2)c1C	123500527	UTBMMYVGFZCOHZ-ZSOIEALJSA-N	310.422	4.673	50	20	DJGD	
CC(C)=CCC/C(C)=C/C=NNC(=O)c1cccc2cccnc12	747356089	MCZPVGUIYLWRPA-MOMIPYRTSA-N	321.424	4.643	50	20	DJGD	
CC(C)Oc1ccc(/C=C(/C#N)c2nc(C3CC3)cs2)cc1	843272832	OCUSNKRXDAOEMG-DHDCSXOGSA-N	310.422	4.872	50	20	DJGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3ccc(C)c(C)c3)n2)cc1	915986164	YMNJHUQABZYUGE-WOJGMQOQSA-N	315.376	4.726	50	20	DJGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc([C@@H]2C[C@@H]2C)o1	8117355	BKLILRBQXJYMLT-FPZAFUISSA-N	320.392	4.566	50	20	DJGD	
Cn1ccc(CNc2ccc(S(F)(F)(F)(F)F)cc2)n1	709707877	HXHBUGGKVTWHEB-UHFFFAOYSA-N	313.295	4.690	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cc(Br)ccc1F	741469998	ONKXFNOUFYUYNW-CEXMDJMXSA-N	324.193	4.500	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H]1CC12CCC2	760146418	IFIGYWNEHKLTGM-OAHLLOKOSA-N	314.454	4.513	50	20	DJGD	
Cc1nc(/C(C#N)=C/c2ccccc2OC(F)(F)F)sc1C	741473606	JKWDAMQODGIFQK-KPKJPENVSA-N	324.327	4.723	50	20	DJGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2ccc(Cl)nc2)s1	797406666	ILWWUDODZHFVJB-WDZFZDKYSA-N	303.818	4.553	50	20	DJGD	
C[C@@H]1CCCC[C@@H]1N(C)C(=O)CCCC[C@H]1CCSS1	913509036	RIXJOVWNJZJCEO-ILXRZTDVSA-N	315.548	4.738	50	20	DJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1cc(C)c2ncccc2c1	1116536787	JLVGDOOOEMZGNT-PDGQHHTCSA-N	312.372	4.642	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cc3ccccc3o2)c1C	727654462	MYKMUMPJKICDJZ-LFIBNONCSA-N	301.345	4.840	50	20	DJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C/c1sccc1C	3525989	ATWQIJUWVYJPCY-LFIBNONCSA-N	324.449	4.727	50	20	DJGD	
CC[C@@H](Cl)c1nc2scc(C3CCCCC3)c2c(=O)[nH]1	43554414	SMORHPCMAFCCPM-LLVKDONJSA-N	310.850	4.722	50	20	DJGD	
Cc1nc(/C(C#N)=C\c2nc(-c3ccccc3)cs2)sc1C	125411074	YEZRMCNVHGINQH-ZSOIEALJSA-N	323.446	4.948	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C/c2nccn2-c2ccccc2)n1	191314887	LIAPJVOKWRDQTE-GXDHUFHOSA-N	320.421	4.516	50	20	DJGD	
Cc1ccc(F)c(/C=C(/C#N)C(=O)c2c[nH]c3cc(F)ccc23)c1	734981862	XMQUSEGDULQSPM-QPEQYQDCSA-N	322.314	4.544	50	20	DJGD	
CC(C)C[C@@H](C(=O)NNc1cccc(Cl)c1)c1ccccc1	740815341	SFDXVHQQKSUFAW-QGZVFWFLSA-N	316.832	4.613	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc(C(F)(F)F)ccc1F	741475393	ZLRXASQHOFDCTM-QVIVLVACSA-N	313.294	4.757	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/C=C\c2ccc(F)cc2F)s1	758062831	ONTUSGVAZPFJMB-NWNZELPYSA-N	315.344	4.681	50	20	DJGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)cs2)cc1	779753990	ZJVURCAEFGQRPW-GHXNOFRVSA-N	316.813	4.510	50	20	DJGD	
Cc1cccc(/C=C(/C#N)C(=O)c2cccc(C(F)(F)F)c2)c1	780529698	ZQIGBDPXTGHLEN-DHDCSXOGSA-N	315.294	4.804	50	20	DJGD	
CSc1ccc(/C=C(/C#N)C(=O)c2cc(C)cc(C)c2)cc1	918713271	HPNWSSZTPPLLKK-BOPFTXTBSA-N	307.418	4.815	50	20	DJGD	
COc1ccc2cc(/C=C(/C#N)C(=O)CC(C)(C)C)ccc2c1	918713731	MSRDKCYONNJKCT-YVLHZVERSA-N	307.393	4.761	50	20	DJGD	
N#C/C(=C/c1cccc(Cl)c1)c1nc(-c2ccncc2)cs1	60036944	UDUZJRNXCKSJRP-ZSOIEALJSA-N	323.808	4.923	50	20	DJGD	
Cc1nc(/C(C#N)=C\c2ccccc2Br)sc1C	125395034	NZRNWRXZBOJFAO-GHXNOFRVSA-N	319.227	4.587	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2coc3ccccc23)c1C	746521146	VQBODFNIFAWCRQ-GDNBJRDFSA-N	301.345	4.840	50	20	DJGD	
COc1cc(/C=C(/C#N)c2ccc3ccccc3n2)ccc1C	773123809	GJRKYNUBCSXPQM-BOPFTXTBSA-N	300.361	4.616	50	20	DJGD	
C=CCC[C@@H](C(=O)NNc1ccc(Cl)cc1)c1ccccc1	779393181	PPLJSYXUISXZAP-QGZVFWFLSA-N	314.816	4.533	50	20	DJGD	
CCOc1c(Cl)cccc1/C=C(\C#N)C(=O)C(C)(C)CC	794875796	ZLIBGZFZOBZAQU-JLHYYAGUSA-N	305.805	4.651	50	20	DJGD	
CC(C)c1ccc(/C=C(/C#N)C(=O)c2ccccc2)cc1[N+](=O)[O-]	915841312	AFTULVMXDLPAQQ-YBEGLDIGSA-N	320.348	4.508	50	20	DJGD	
Cc1ncsc1/C=C(\C#N)c1nc(-c2ccccc2)cs1	172816494	VYWQPJATQQNBEM-NTUHNPAUSA-N	309.419	4.639	50	20	DJGD	
O=C(NN=Cc1ccc(C(F)F)cc1)c1cccc2ccccc12	794513973	DXXNUBMUHHHDDM-UHFFFAOYSA-N	324.330	4.541	50	20	DJGD	
Cc1cc(N(C)C)ccc1/C=C(\C#N)c1nc(C(C)C)cs1	840716663	NHRMOPYBBBEFOQ-OQLLNIDSSA-N	311.454	4.705	50	20	DJGD	
Cc1cc(C)c(C=NNC(=O)c2ccc3ccccc3c2)cc1C	917546675	DPCZAZONBSVECU-UHFFFAOYSA-N	316.404	4.529	50	20	DJGD	
COc1cccc(C(=O)/C(C#N)=C\c2cccc3ccccc23)c1	69033189	ZRKFQGZCQASJHI-PDGQHHTCSA-N	313.356	4.638	50	20	DJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1cccc(C(F)(F)F)c1	212130014	CIZUKXWHKGOGIG-ZROIWOOFSA-N	315.294	4.804	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C/c2ccc(OC(F)F)cc2)n1	255008003	WBUHSVVHVLBNPB-KPKJPENVSA-N	320.364	4.932	50	20	DJGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(SC(F)(F)F)cc1	726428459	MKAJDIVOYIOBGB-BKLZJWBFSA-N	313.344	4.821	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C[C@H](C)C1CC1	748667693	NRVOITRLGLERFG-LBPRGKRZSA-N	316.470	4.759	50	20	DJGD	
Cc1ccc2cc(C(=O)NNc3ccc(C(C)(C)C)cc3)[nH]c2c1	780802904	UYNGEEMHMAMZQC-UHFFFAOYSA-N	321.424	4.531	50	20	DJGD	
Cc1ncccc1/C=C(/C#N)c1nc2cc(Cl)ccc2s1	255880359	XLBDOVWVUXEOAZ-GHXNOFRVSA-N	311.797	4.717	50	20	DJGD	
Cc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)c2cccc(C)c2)cc1	737339631	SOWYDBBQPQXSLY-QUYZQLMHSA-N	305.377	4.515	50	20	DJGD	
Cc1cccc(NNC(=O)[C@@H](c2cccc(Cl)c2)C(C)C)c1	749527838	PWBXRVVVHUGEMA-QGZVFWFLSA-N	316.832	4.531	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccc(F)c2cccnc12	759116212	GFFSWDUUVNOFLE-LCYFTJDESA-N	322.364	4.534	50	20	DJGD	
C/C(=C/c1cccc(Cl)c1)C(=O)NNc1ccccc1Cl	759657440	KALROAWNJIEPQJ-LUAWRHEFSA-N	321.207	4.540	50	20	DJGD	
N#C/C(=C/c1csc(Cl)c1Cl)c1nc2ccccc2[nH]1	761377814	USHXHPHQFPJDDS-YVMONPNESA-N	320.204	4.995	50	20	DJGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cc(Cl)cs2)c1	780006180	XNURSOMPGADNMX-MLPAPPSSSA-N	301.798	4.808	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cnc(-c3ccco3)s2)cc1	789148476	PTJFPNYMYFNKSR-NTEUORMPSA-N	320.373	4.501	50	20	DJGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(-c2cccc(F)c2F)o1	790099143	FDLMOBGKMQYMLO-LWMMSDEHSA-N	315.319	4.747	50	20	DJGD	
N#C/C(=C\c1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1	5128497	FGIKREBBILYBOG-LDADJPATSA-N	300.317	4.812	50	20	DJGD	
CCCC(CCC)=NNC(=O)c1ccc(Cl)cc1Cl	6038128	FKCAOSQEOUBBEM-UHFFFAOYSA-N	301.217	4.679	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C\c1csc(-c2ccsc2)n1	101799942	VYSBYVHVCCGDBC-QPEQYQDCSA-N	316.451	4.784	50	20	DJGD	
CCO[C@@H](C)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	186055509	XBUJAPNARNSOMV-QMMMGPOBSA-N	319.295	4.708	50	20	DJGD	
Cc1ccc(-c2csc3nc([C@@H](C)Cl)[nH]c(=O)c23)cc1C	20362951	CIDNFRUARZUWBW-SNVBAGLBSA-N	318.829	4.568	50	20	DJGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)c1cccnc1	186054028	OWCOFSIMTNYFAG-UHFFFAOYSA-N	324.274	4.991	50	20	DJGD	
CC(C)c1ncc(/C=C(/C#N)c2ccc3ccccc3n2)s1	758431879	YDCPBCLZAVYOBA-ZROIWOOFSA-N	305.406	4.879	50	20	DJGD	
N#C/C(=C/c1ccc2ccccc2c1)c1nc(-c2ccccc2)no1	916131484	INEMMJKDLHFCQA-UYRXBGFRSA-N	323.355	4.954	50	20	DJGD	
N#C/C(=C\c1ccsc1)C(=O)c1cc(Cl)cc(Cl)c1	921138354	GXOZBKRPJANFMH-QDEBKDIKSA-N	308.189	4.845	50	20	DJGD	
Cc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1C	59269618	XATUWLPQJOXXPV-MHWRWJLKSA-N	324.811	4.811	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C/c2cccc(-n3cccn3)c2)n1	155229204	BLHGDFQRJDIERA-OQLLNIDSSA-N	320.421	4.516	50	20	DJGD	
Cc1cccc(/C=C(\C#N)c2nc(-c3ccncc3)cs2)c1C	171791114	ZZZLVPORBAENJW-LICLKQGHSA-N	317.417	4.886	50	20	DJGD	
CCCCOc1ccc(/C=C(\C#N)c2ccccn2)cc1OCC	206059755	KGNDBDVLAJLSLM-GHRIWEEISA-N	322.408	4.723	50	20	DJGD	
CC(C)c1csc(/C(C#N)=C\c2ccn(-c3ccccc3)n2)n1	255571879	DMUONMIQSUXKEH-UVTDQMKNSA-N	320.421	4.516	50	20	DJGD	
CCCCc1ccc(C(=O)NNc2c(C)cc(C)cc2C)cc1	743764840	AMIQFVLRHPFOFZ-UHFFFAOYSA-N	310.441	4.711	50	20	DJGD	
O=C(NNc1cccc2c1CCCC2)c1cccc2ccsc12	768311014	KRTMGQIZGOGULU-UHFFFAOYSA-N	322.433	4.537	50	20	DJGD	
N#C/C(=C/c1ccc(Cl)cc1)C(=O)c1ccc(Cl)s1	783687501	LCFYVAWGDGUAOA-YFHOEESVSA-N	308.189	4.845	50	20	DJGD	
N#C/C(=C\c1sccc1Cl)c1nc(-c2ccccc2)no1	779798581	PJPIPOQIBBKFKJ-DHZHZOJOSA-N	313.769	4.516	50	20	DJGD	
COCc1ccc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)cc1	797398331	GMFLSPLDMVHICO-DHDCSXOGSA-N	312.438	4.651	50	20	DJGD	
N#C/C(=C/C=C/c1ccccc1)C(=O)c1c[nH]c2cc(F)ccc12	920244357	PTFFSTUNNYUQKK-GVEAZFNLSA-N	316.335	4.653	50	20	DJGD	
N#C/C(=C\c1cccs1)c1nc(-c2ccc(C#N)cc2)cs1	63279010	GAPIPJXXRCXGFA-RIYZIHGNSA-N	319.414	4.807	50	20	DJGD	
Cc1ccc(-c2csc(/C(C#N)=C\c3cccnc3C)n2)cc1	728786449	XRSCERKCRFFIIX-YVLHZVERSA-N	317.417	4.886	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(F)cc1C(F)(F)F	771859452	MUFLIBVPLIWOSH-VPMLRQHESA-N	313.294	4.757	50	20	DJGD	
N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)c1cccc(F)c1	772179907	STLWSKFGEWLCOD-WUXMJOGZSA-N	320.150	4.922	50	20	DJGD	
CCOc1cccc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)c1	797398785	KUSHTIGQSPNKHV-ZROIWOOFSA-N	312.438	4.903	50	20	DJGD	
CCCCCC(=O)NNc1c(Cl)cc(Cl)cc1Cl	301197724	NEJHTIXPGWQFFF-UHFFFAOYSA-N	309.624	4.670	50	20	DJGD	
Cc1ccc(F)c(/C=C(/C#N)C(=O)c2cc3ccccc3o2)c1	734981272	QGQOIDQBDXIZIG-DHDCSXOGSA-N	305.308	4.670	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cnc(C(C)(C)C)s1	78162328	LJVIUOJCNJOKKP-XFFZJAGNSA-N	316.451	4.600	50	20	DJGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C1CCCCC1	175636999	VCPVAAVGLRPYEO-UHFFFAOYSA-N	316.470	4.903	50	20	DJGD	
N#C/C(=C/c1cc(C(F)(F)F)ccc1F)C(=O)c1ccccc1	733205473	XAFXGCOTRXFDRU-JYRVWZFOSA-N	319.257	4.634	50	20	DJGD	
C[C@H]1C[C@@H](C)C[C@H](NC(=O)CCCC[C@H]2CCSS2)C1	739809228	GLPMLGRSXLZMLQ-YJNKXOJESA-N	315.548	4.641	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc3ccccc3s2)cc1	764892198	TUJNRBZVBCRMET-WJDWOHSUSA-N	303.386	5.000	50	20	DJGD	
C=CCC[C@H](C(=O)NNc1ccc(Cl)cc1)c1ccccc1	779393180	PPLJSYXUISXZAP-KRWDZBQOSA-N	314.816	4.533	50	20	DJGD	
CC(C)Sc1cccc(Cl)c1/C=C(/C#N)C(=O)C(C)C	782331799	YCHUYPCXSHYDCO-WQLSENKSSA-N	307.846	4.973	50	20	DJGD	
CC(C)(C)[C@H]1CCN(C(=O)CCCC[C@@H]2CCSS2)C1	784764461	ZYQPXMKRMTXKAO-UONOGXRCSA-N	315.548	4.595	50	20	DJGD	
O=C(CCCC[C@@H]1CCSS1)Nc1cc(F)cc(F)c1	849212644	LVFKHQPRHPHULO-CYBMUJFWSA-N	317.426	4.617	50	20	DJGD	
C[C@@H]1CCC[C@@H](N(C)C(=O)CCCC[C@@H]2CCSS2)C1	914498903	WXKUVHOZUOQTLP-RBSFLKMASA-N	315.548	4.738	50	20	DJGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1cccc(OC(C)C)c1	1318046513	DWJYLCVYAMCYLS-BOPFTXTBSA-N	305.377	4.572	50	20	DJGD	
N#C/C(=C\c1cccc(Cl)c1)C(=O)c1c[nH]c2ccccc12	23217982	GQUCEQDOIQWXTC-MDWZMJQESA-N	306.752	4.611	50	20	DJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3ccc(C)s3)c[nH]c2c1	63412981	DGCINZCZQYMHPD-JYRVWZFOSA-N	306.390	4.636	50	20	DJGD	
CC(C)[C@H](Br)C(=O)c1ccc(Cl)c(Cl)c1	71423384	GRAJDYCOPPFCBA-JTQLQIEISA-N	310.018	4.596	50	20	DJGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1ccsc1C	490979923	ZHUONJZYJOADQF-BOPFTXTBSA-N	324.449	4.727	50	20	DJGD	
Cc1csc(/C(C#N)=C\c2ccc(C(F)(F)F)cc2C)n1	588616475	IREDIVQEUDETCI-SDQBBNPISA-N	308.328	4.843	50	20	DJGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(/C#N)c2nc(-c3ccccc3)no2)o1	733781758	HHYGLWCHXYEBEY-APCBGKFJSA-N	317.348	4.517	50	20	DJGD	
N#C/C(=C\c1ccc(O)c(F)c1)C(=O)c1cc2ccccc2s1	788327672	KVULICSHTQYDSA-NTUHNPAUSA-N	323.348	4.536	50	20	DJGD	
Cc1cc(/C=C(\C#N)C(=O)c2ccc(F)cc2)c(C)n1CC(C)C	8202701	DTJFWJXFQWLTLQ-VCHYOVAHSA-N	324.399	4.690	50	20	DJGD	
N#C/C(=C/c1ccsc1)C(=O)Nc1c(Cl)cccc1Cl	212137477	LLZFMNHIOAYDSA-POHAHGRESA-N	323.204	4.601	50	20	DJGD	
FS(F)(F)(F)(F)c1cccc(NC(=S)NC2CC2)c1	690183414	GOFCRLPAGHZZSE-UHFFFAOYSA-N	318.336	4.793	50	20	DJGD	
Cc1ccc2c(Cl)c(C(=O)NNc3ccccc3)sc2c1	732265640	UDFDZIPYALBLJR-UHFFFAOYSA-N	316.813	4.620	50	20	DJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cc(Cl)c(OC)cc1Cl	753889767	SPFPMPCURIMVIV-WUFUFFIZSA-N	312.196	4.524	50	20	DJGD	
Cc1ccc(/C=C(/C#N)C(=O)c2cccc(C(F)(F)F)c2)s1	780526847	IITHORXINWNWKY-WQLSENKSSA-N	321.323	4.865	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cnc(C(C)C)s2)cc1C	809147065	XVFUNMIMDXXUNR-NVNXTCNLSA-N	310.422	4.673	50	20	DJGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2ccncc2Cl)s1	863191571	PKPXMYTYXAXLDE-IZZDOVSWSA-N	303.818	4.553	50	20	DJGD	
Cc1nc(/C(C#N)=C\c2cccc(OCCCC#N)c2)sc1C	125391655	KNMQULDKBBSYCT-YBEGLDIGSA-N	323.421	4.507	50	20	DJGD	
Cc1oc2ccccc2c1/C=C(/C#N)C(=O)c1ccc(F)cc1	759036808	ZCOHLRIJTOKGST-UVTDQMKNSA-N	305.308	4.670	50	20	DJGD	
CN(C(=O)CCCC[C@@H]1CCSS1)c1ccc(F)cc1	918649246	INJBJHHUDGLOPN-CQSZACIVSA-N	313.463	4.503	50	20	DJGD	
CC[C@H](NCc1cccc(S(F)(F)(F)(F)F)c1)[C@H](C)O	922157205	AQVQMHRDJULIFO-CABZTGNLSA-N	319.339	4.593	50	20	DJGD	
COc1cccc(/C=C(/C#N)C(=O)c2ccc(C(C)(C)C)cc2)c1	212144918	WETWZYQRRJZATB-ATVHPVEESA-N	319.404	4.783	50	20	DJGD	
CC(C)C(=NNC(=O)c1cc2c(s1)CCC2)C1CCCCC1	733906236	BMULANFZMMPBOV-UHFFFAOYSA-N	318.486	4.559	50	20	DJGD	
N#C/C(=C/c1cc(C(F)(F)F)ccc1F)C(=O)C1CCCC1	781553476	SPUAGBXJBBWQCQ-GHXNOFRVSA-N	311.278	4.511	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ncc(C(C)(C)C)s2)s1	790601258	SKWOHHXLAOYZHZ-YRNVUSSQSA-N	316.451	4.600	50	20	DJGD	
CCCN(N=C(C)c1ccc(Cl)s1)C(=O)OC(C)(C)C	794998977	YXXXSQGMYHDEPQ-UHFFFAOYSA-N	316.854	4.773	50	20	DJGD	
N#C/C(=C/c1ccc(Cl)c(F)c1)C(=O)c1cccc(Cl)c1	921265518	JFESNLIGNOHNIR-SDQBBNPISA-N	320.150	4.922	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1coc(-c2ccc(C)cc2)n1	175327223	LRLKYXIJZBNJPI-DWKHYPNZSA-N	308.381	4.562	50	20	DJGD	
O=C(NN=Cc1ccsc1)Nc1ccc(-c2ccccc2)cc1	741765900	NAJINVWISOIHIL-UHFFFAOYSA-N	321.405	4.571	50	20	DJGD	
N#C/C(=C\c1csc(Cl)c1Cl)C(=O)C1CCCC1	761383501	BJVSYLQPOYGUCT-WEVVVXLNSA-N	300.210	4.721	50	20	DJGD	
COc1cc(/C(C#N)=C/c2ccccc2C2CC2)ccc1[N+](=O)[O-]	774559986	KKXHIUQWRHKBPF-MHWRWJLKSA-N	320.348	4.545	50	20	DJGD	
CSc1ccc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)cc1	812246195	FZCLXCCEGZASLL-WQLSENKSSA-N	320.339	4.886	50	20	DJGD	
C[C@H](CC#N)NCc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	878820068	GQYFDDXJAPLYOC-OAHLLOKOSA-N	318.537	4.600	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1csc(-c2ccsc2)n1	172692760	WPQREKQVNJZJEC-DELQEKLWSA-N	316.451	4.784	50	20	DJGD	
N#C/C(=C/c1ccc(Br)c(Cl)c1)c1ccccn1	588589561	TVVMPVFTVQFDJM-XFFZJAGNSA-N	319.589	4.562	50	20	DJGD	
CC(C)=CCC/C(C)=C\C=NNC(=O)c1cccc2ncccc12	730146685	CNKDKAKIEWOKMM-RODMOWRHSA-N	321.424	4.643	50	20	DJGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc2c(c1)CCC(C)(C)O2	731564493	GSGHTTXGMBKBCX-ATVHPVEESA-N	311.425	4.702	50	20	DJGD	
Cc1nc(/C(C#N)=C/c2ccccc2C(F)(F)F)sc1C	741475215	WGMAFRNPHISZOV-KPKJPENVSA-N	308.328	4.843	50	20	DJGD	
C=CCCC(CC)=NNC(=O)c1ccc(OCCC(C)C)cc1	750922564	RTILCJUIKDVVLC-UHFFFAOYSA-N	316.445	4.574	50	20	DJGD	
N#C/C(=C/c1cc(Cl)ccc1F)C(=O)c1c[nH]c2ccccc12	753683819	XBPGIAHFEYAKIC-GHXNOFRVSA-N	324.742	4.750	50	20	DJGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccc(F)c(Cl)c2)s1	773154853	NNBPLDGDGCOGNU-IZZDOVSWSA-N	305.761	4.639	50	20	DJGD	
C[C@@H]1C[C@@H](Nc2cccc(S(F)(F)(F)(F)F)c2)CO1	690186615	JMHBOMCSMFQQRW-PSASIEDQSA-N	303.296	4.933	50	20	DJGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(F)c(Cl)c2)s1	755404688	AIUDUNQVHGTYJR-WDZFZDKYSA-N	305.761	4.639	50	20	DJGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3cc(F)cc(F)c3)c[nH]c2c1	755407007	PPCOMJVSYKIPBK-WLRTZDKTSA-N	322.314	4.544	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C/C=C/c1ccc(F)cc1F	758018861	ZXYBUZIUIZPHAC-JDVNWEJLSA-N	315.344	4.681	50	20	DJGD	
N#C/C(=C/c1ccc(SC(F)(F)F)cc1)C(=O)c1ccco1	767917082	NQWJYHKHQKCQJZ-FLIBITNWSA-N	323.295	4.681	50	20	DJGD	
CCSc1cccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c1	769742482	INDRYEIXWSVDEE-XNTDXEJSSA-N	310.378	4.771	50	20	DJGD	
C/C=C(\C)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	770479298	RMYRPSKOILEWHW-STWLFGJUSA-N	323.767	4.811	50	20	DJGD	
N#C/C(=C/c1cc(Cl)ccc1OCC1CC1)c1ccccn1	797398866	RYKDKAYJSMBBKQ-DHDCSXOGSA-N	310.784	4.588	50	20	DJGD	
Cc1ccc(-c2nc(/C=C(/C#N)C(=O)C(C)(C)C)cs2)cc1	124781064	RJCBFDAULSYRNP-ZROIWOOFSA-N	310.422	4.641	50	20	DJGD	
N#C/C(=C\c1nc(-c2ccccc2)cs1)C(=O)c1ccccc1	209705972	QXSHWESKBBTRKS-LFIBNONCSA-N	316.385	4.600	50	20	DJGD	
C[C@H](c1ccco1)N(C)C(=O)CCCC[C@H]1CCSS1	252157616	HJLGWXLWOTWYGT-OLZOCXBDSA-N	313.488	4.513	50	20	DJGD	
Cc1ccc(C)c(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)c1	915990211	JQHXCEAQMIXGBQ-OVCLIPMQSA-N	318.351	4.714	50	20	DJGD	
O=C(NN=C1CCCCC1)c1ccc(-c2ccc(F)cc2)s1	8051553	XEBLGCBCEYXSBH-UHFFFAOYSA-N	316.401	4.604	50	20	DJGD	
Cc1oc2ccccc2c1/C=C(\C#N)C(=O)c1ccc(F)cc1	759036805	ZCOHLRIJTOKGST-GXDHUFHOSA-N	305.308	4.670	50	20	DJGD	
C[C@@H](CBr)CN[C@H](C)c1cccc2ccccc12	770665010	BDWBRBYRLRMMFW-QWHCGFSZSA-N	306.247	4.521	50	20	DJGD	
CSc1cc(/C(C#N)=C\c2c(Cl)cccc2Cl)ncn1	773175713	HDJZEOXCHDOPMI-UITAMQMPSA-N	322.220	4.569	50	20	DJGD	
Cc1ccc(-c2c(C)sc3nc([C@@H](C)Cl)[nH]c(=O)c23)cc1	20362947	SVGRCCMCJDDSLM-SECBINFHSA-N	318.829	4.568	50	20	DJGD	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)c2ccc(C)s2)cc1	729822802	AWRYZXLONMYNRI-FOWTUZBSSA-N	324.449	4.693	50	20	DJGD	
Cc1cc(F)ccc1-c1ccc(/C=C(/C#N)C(=O)C(C)(C)C)o1	734303344	LXFZDDLHVXTNDE-RAXLEYEMSA-N	311.356	4.916	50	20	DJGD	
N#C/C(=C\c1ccc(O)c(Cl)c1)c1cc(C(F)(F)F)ccn1	812246704	SDPHYNLVLDQWRI-BJMVGYQFSA-N	324.689	4.524	50	20	DJGD	
C=CCCC[C@H](C)NC(=O)CCCC[C@H]1CCSS1	182595833	SKAPOVPIMAHTKU-KBPBESRZSA-N	301.521	4.562	50	20	DJGD	
N#C/C(=C\c1scnc1C1CC1)C(=O)c1ccc(Cl)s1	782351677	NJKABAODRVYWBM-WEVVVXLNSA-N	320.826	4.525	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccsc1C(F)(F)F	863186188	QSUBSDMJPRXNLU-MDXIRLPMSA-N	301.333	4.679	50	20	DJGD	
CC(=C/c1ccccc1)/C=C(/C#N)C(=O)Nc1c(C)cccc1C	57537282	ZDQRZLXSNICVAL-MLBUPBODSA-N	316.404	4.795	50	20	DJGD	
CC(C)(C)CCCC(=O)NNc1ccnc2cc(Cl)ccc12	729514385	AUTUYZBKZRYVFU-UHFFFAOYSA-N	319.836	4.548	50	20	DJGD	
CC[C@@H]1CCCN(C(=O)CCCC[C@H]2CCSS2)CC1	735274915	NCEIARRLDQYWBH-CABCVRRESA-N	315.548	4.739	50	20	DJGD	
CC[C@H](C)c1ccc(C(=O)NNc2ccccc2Cl)cc1	748316996	AZJLRYVWFHTFNW-LBPRGKRZSA-N	302.805	4.610	50	20	DJGD	
CC(C)(C)c1ccc(/C=C(\C#N)c2cnc3ccccc3n2)cc1	790227485	JIRZOILLTZTALW-FOWTUZBSSA-N	313.404	4.991	50	20	DJGD	
N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)C(=O)c1ccsc1	915990288	YYAQXPTYSCLWCS-ZROIWOOFSA-N	323.348	4.937	50	20	DJGD	
Cc1cccc(C(=O)/C(C#N)=C\c2nccc3ccccc23)c1C	740765598	JFZBUXAYPKDUAI-ATVHPVEESA-N	312.372	4.642	50	20	DJGD	
Cc1cccc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)c1C	812246766	UFPQOAOFVJXUMN-ZSOIEALJSA-N	302.299	4.781	50	20	DJGD	
C[C@@H]1C[C@@H](NCc2cccc(S(F)(F)(F)(F)F)c2)CO1	842712639	SIESVLWMECLZSR-MWLCHTKSSA-N	317.323	4.611	50	20	DJGD	
N#CCN(Cc1cccc(S(F)(F)(F)(F)F)c1)C1CC1	891795622	SRHHPHWGRHGYMV-UHFFFAOYSA-N	312.307	4.832	50	20	DJGD	
C[C@H](O)CCCNCc1cccc(S(F)(F)(F)(F)F)c1	922074110	NSBLKPSTNLUSIR-JTQLQIEISA-N	319.339	4.595	50	20	DJGD	
CCCN(C(=O)CCl)[C@H](C)c1ccc(Cl)c(Cl)c1	1116433744	DVDOJKJSJZATFX-SECBINFHSA-N	308.636	4.532	50	20	DJGD	
Cc1ccc(/C=C(/C#N)c2nc(-c3ccncc3)cs2)cc1F	67428018	ZKJMWWBIHHNWQU-NVNXTCNLSA-N	321.380	4.717	50	20	DJGD	
N#C/C(=C/c1ccc(O)c(F)c1)c1nc(-c2ccccc2)cs1	158775748	JXVYMCNKFLNUJW-ZSOIEALJSA-N	322.364	4.719	50	20	DJGD	
CC[C@@H](OC)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	273953901	NHDZKYWXGRZAEX-SNVBAGLBSA-N	319.295	4.708	50	20	DJGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(C(C)C)c([N+](=O)[O-])c1	741473780	KYYULZSGXKXXFH-NCPSJORJSA-N	314.385	4.630	50	20	DJGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(C)cc2C)c1C	915857541	VGCCBFIQRIXORK-XDHOZWIPSA-N	318.420	4.698	50	20	DJGD	
Cc1csc(/C(C#N)=C/c2ccc(CSC(F)F)o2)n1	8207392	ALJKUFSSLBAHAU-RUDMXATFSA-N	312.366	4.565	50	20	DJGD	
Cc1ncsc1/C=C(\C#N)C(=O)c1cc(Cl)cc(Cl)c1	172818103	AFTMNDCGWFQYJH-ONNFQVAWSA-N	323.204	4.548	50	20	DJGD	
COc1ccc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)c(Cl)c1	735620309	WZEMOKSZQIHMIK-MDWZMJQESA-N	323.783	4.598	50	20	DJGD	
COc1cccc2cc(/C=C(\C#N)c3nc(C)c(C)s3)oc12	741474434	OVLNKBAJMIAOTG-MDWZMJQESA-N	310.378	4.579	50	20	DJGD	
COc1cc(Cl)c(/C=C(/C#N)C(=O)CC(C)C)cc1Cl	753888656	AGKMKQGQLMFTGN-WZUFQYTHSA-N	312.196	4.524	50	20	DJGD	
C[C@@H]1CCCC[C@H]1CNC(=O)CCCC[C@@H]1CCSS1	920297705	RMUBJOIKXZTSBT-QLFBSQMISA-N	315.548	4.643	50	20	DJGD	
COc1ccc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)s1	177895581	AVOVXQJVKRMKTQ-UKTHLTGXSA-N	324.430	4.944	50	20	DJGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(Oc2cccnc2)c(C)c1	732714917	ZZFQZOLDZLNKDP-MPMPPSQCSA-N	320.392	4.705	50	20	DJGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(N2CCCCC2)cc1	741473412	IELZETZFPKEMJX-VVZNPABPSA-N	310.441	4.589	50	20	DJGD	
C/C(=C/C(=O)NNc1ccccc1Cl)c1ccccc1Cl	748303322	QFBQFVHOBWPFCG-KHPPLWFESA-N	321.207	4.540	50	20	DJGD	
C/C(=C/C(=O)NNc1cc(Cl)ccc1Cl)c1ccccc1	752810128	FUQOFOLOJUPCRV-LUAWRHEFSA-N	321.207	4.540	50	20	DJGD	
Cc1cc(/C(C#N)=C\c2ccsc2Cl)ccc1[N+](=O)[O-]	790225841	WDPOGGYTXMRBGR-GHXNOFRVSA-N	304.758	4.682	50	20	DJGD	
COc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)CC(C)C	726118627	PFYZLXLFRWLTEF-VZUCSPMQSA-N	312.196	4.524	50	20	DJGD	
N#C/C(=C/c1ccc(C(F)(F)F)cc1)C(=O)c1ccc(F)cc1	730589744	POLVMJNXWVVCLI-LCYFTJDESA-N	319.257	4.634	50	20	DJGD	
CC(C)c1nc(/C=C(/C#N)C(=O)C2CCCCC2)c2ccccn12	767736771	MUILPLSWFOPYSQ-VBKFSLOCSA-N	321.424	4.514	50	20	DJGD	
N#C/C(=C/c1cccc(Cl)c1)C(=O)c1ccc(Cl)cc1F	773155658	VZPDOQKOUKDLQX-WDZFZDKYSA-N	320.150	4.922	50	20	DJGD	
Cc1ccc(F)cc1/C=C(\C#N)C(=O)c1c(C)[nH]c2ccccc12	777869863	PWHYQCFVSPJLPQ-OQLLNIDSSA-N	318.351	4.714	50	20	DJGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1ccc(Cl)cc1F	782196610	FWCUCVILXLRBMX-IZZDOVSWSA-N	305.761	4.639	50	20	DJGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2scnc2C2CC2)cc1	782301874	DAKDZHBBWOKGLB-YBEGLDIGSA-N	322.433	4.763	50	20	DJGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc(Cl)c(C(F)(F)F)c1	727266922	KBAOQLJCTJENIP-IZZDOVSWSA-N	315.722	4.881	50	20	DJGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2C2CC2)c(C)c1	750816991	AEQVKPDMEOQSIZ-LDADJPATSA-N	316.404	4.727	50	20	DJGD	
CCCc1cccc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)c1	773910001	UQELABNDNJAQSS-UYRXBGFRSA-N	318.420	4.802	50	20	DJGD	
N#C/C(=C\c1cc2ccccc2o1)C(=O)c1cc(F)cc(F)c1	588597294	FUTXEVLVXVFQNB-MDWZMJQESA-N	309.271	4.501	50	20	DJGD	
Cc1cccc2nc(/C(C#N)=C/c3cc(Cl)ccc3F)[nH]c12	753688246	RUBNXPVLTVWZJM-KPKJPENVSA-N	311.747	4.728	50	20	DJGD	
COc1cccc2cc(/C=C(\C#N)C(=O)c3ccc(C)cc3)oc12	764892789	ZXBWDVAFPMESRX-LFIBNONCSA-N	317.344	4.540	50	20	DJGD	
N#C/C(=C/c1ccccc1OC1CCCC1)C(=O)c1ccccc1	920062945	JDGVLTHVHGFUJI-JXAWBTAJSA-N	317.388	4.798	50	20	DJGD	
Cn1c(/C(C#N)=C/c2ccc(C(C)(C)C)cc2)nc2ccccc21	5657241	YBKWWEOVYLPUAP-DTQAZKPQSA-N	315.420	4.935	50	20	DJGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccccn3)c2C)cc1	33699615	TWJOYJVPTNTVOF-UYRXBGFRSA-N	313.404	4.862	50	20	DJGD	
Cc1cccc(C)c1NC(=O)CCCC[C@@H]1CCSS1	267359622	WFWOJJPECJJKDP-CQSZACIVSA-N	309.500	4.956	50	20	DJGD	
CC(C)COc1ccc(/C=C(/C#N)C(=O)c2ccsc2)cc1	730150373	SYDQWZQDIYMKLJ-SXGWCWSVSA-N	311.406	4.573	50	20	DJGD	
Cc1cc(Cl)ccc1/C=C(\C#N)C(=O)Nc1cccc(C)c1C	767341333	ZCFNGDFYJDBOTH-MHWRWJLKSA-N	324.811	4.811	50	20	DJGD	
ClCCn1cc(/C=C\c2nc3cc(Cl)ccc3s2)cn1	728700711	UOVOYKKOBOSWQN-RJRFIUFISA-N	324.236	4.555	50	20	DJGD	
Cc1cc([C@@H](C)NCc2ccc(OCCCCl)cc2)c(C)o1	1332940120	JGWGSGVJMQXHFS-CQSZACIVSA-N	321.848	4.755	50	20	DJGD	
CC(C)(C)[Si](C)(C)Oc1ccc(CBr)cc1	170026709	RMHYTMBCYMFEBG-UHFFFAOYSA-N	301.300	4.966	50	20	DJGD	
Cc1cc(C)c(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)c(C)c1	735619479	NIQQYEYRBKEMOL-MHWRWJLKSA-N	301.393	4.861	50	20	DJGD	
N#C/C=C(/c1ccccc1)N1CCC(OCC2CCCCC2)CC1	750800652	VXHNTHIPYJZXQF-NHDPSOOVSA-N	324.468	4.612	50	20	DJGD	
C/C(=C\c1ccccc1Cl)C(=O)NNc1ccccc1Cl	756013660	ZWOUDZGNWZQZDR-ZHACJKMWSA-N	321.207	4.540	50	20	DJGD	
Cc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1Cl	766289719	QTWUVVPUJDQQIP-CXUHLZMHSA-N	324.811	4.811	50	20	DJGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3sccc3C)c[nH]c2c1	98125491	DJXLGDLEFZSFDI-JYRVWZFOSA-N	306.390	4.636	50	20	DJGD	
Cc1cccc(/C=C(/C#N)c2nc3ccccc3n2C(F)F)c1	255143178	AGLSEKXSMQYPTJ-UVTDQMKNSA-N	309.319	4.804	50	20	DJGD	
Cc1nc(/C(C#N)=C/c2ccc3c(c2)CC(C)(C)O3)sc1C	741467035	JPVWWYMRIBPSDV-OVCLIPMQSA-N	310.422	4.538	50	20	DJGD	
Cc1ccc(F)c(NNC(=O)c2ccc(-c3ccccc3)cc2)c1	760137569	ZEXLSBKSEZKNSK-UHFFFAOYSA-N	320.367	4.558	50	20	DJGD	
C[C@@H]1CCCC[C@H]1C=NNC(=O)c1c(Cl)cccc1Cl	783839327	HGDOTRNSAOCIKL-MNOVXSKESA-N	313.228	4.535	50	20	DJGD	
C/C(C=NNC(=O)c1ccc2ccccc2c1)=C/c1ccccc1	917546821	JAEQJDHYQPPLMZ-XJEUAZAISA-N	314.388	4.659	50	20	DJGD